Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 19:35:48 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: ./CaxBeAsx2.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Be.rel-pbe-s-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized 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 89 33 9 7213 1623 247 Max 90 34 10 7224 1648 254 Sum 3217 1189 349 259765 58885 8991 bravais-lattice index = 14 lattice parameter (alat) = 7.3246 a.u. unit-cell volume = 598.2694 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 81.0000 Ry charge density cutoff = 871.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.324578 celldm(2)= 1.000000 celldm(3)= 1.757998 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.757998 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.568829 ) PseudoPot. # 1 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Be read from file: /users/gautes/Pseudo/Be.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 56f92c253d4d86db330921f37562b9e7 Pseudo is Ultrasoft, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1041 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. # 3 for As read from file: /users/gautes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 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 Ca 10.00 40.07800 Ca( 1.00) Be 4.00 9.01220 Be( 1.00) As 5.00 74.92160 As( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 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 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 341 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 2) = ( 0.0106383 0.0061420 -0.0000000), wk = 0.0029326 k( 3) = ( 0.0212766 0.0122841 -0.0000000), wk = 0.0029326 k( 4) = ( 0.0319149 0.0184261 -0.0000000), wk = 0.0029326 k( 5) = ( 0.0425532 0.0245681 -0.0000000), wk = 0.0029326 k( 6) = ( 0.0531915 0.0307101 -0.0000000), wk = 0.0029326 k( 7) = ( 0.0638298 0.0368521 -0.0000000), wk = 0.0029326 k( 8) = ( 0.0744681 0.0429942 -0.0000000), wk = 0.0029326 k( 9) = ( 0.0851064 0.0491362 -0.0000000), wk = 0.0029326 k( 10) = ( 0.0957447 0.0552782 -0.0000000), wk = 0.0029326 k( 11) = ( 0.1063830 0.0614202 -0.0000000), wk = 0.0029326 k( 12) = ( 0.1170213 0.0675623 -0.0000000), wk = 0.0029326 k( 13) = ( 0.1276596 0.0737043 -0.0000000), wk = 0.0029326 k( 14) = ( 0.1382979 0.0798463 -0.0000000), wk = 0.0029326 k( 15) = ( 0.1489362 0.0859883 -0.0000000), wk = 0.0029326 k( 16) = ( 0.1595745 0.0921304 -0.0000000), wk = 0.0029326 k( 17) = ( 0.1702128 0.0982724 -0.0000000), wk = 0.0029326 k( 18) = ( 0.1808511 0.1044144 -0.0000000), wk = 0.0029326 k( 19) = ( 0.1914894 0.1105564 -0.0000000), wk = 0.0029326 k( 20) = ( 0.2021277 0.1166985 -0.0000000), wk = 0.0029326 k( 21) = ( 0.2127660 0.1228405 -0.0000000), wk = 0.0029326 k( 22) = ( 0.2234043 0.1289825 -0.0000000), wk = 0.0029326 k( 23) = ( 0.2340425 0.1351245 -0.0000000), wk = 0.0029326 k( 24) = ( 0.2446809 0.1412666 -0.0000000), wk = 0.0029326 k( 25) = ( 0.2553191 0.1474086 -0.0000000), wk = 0.0029326 k( 26) = ( 0.2659574 0.1535506 -0.0000000), wk = 0.0029326 k( 27) = ( 0.2765957 0.1596926 -0.0000000), wk = 0.0029326 k( 28) = ( 0.2872340 0.1658347 -0.0000000), wk = 0.0029326 k( 29) = ( 0.2978723 0.1719767 -0.0000000), wk = 0.0029326 k( 30) = ( 0.3085106 0.1781187 -0.0000000), wk = 0.0029326 k( 31) = ( 0.3191489 0.1842607 -0.0000000), wk = 0.0029326 k( 32) = ( 0.3297872 0.1904027 -0.0000000), wk = 0.0029326 k( 33) = ( 0.3404255 0.1965448 -0.0000000), wk = 0.0029326 k( 34) = ( 0.3510638 0.2026868 -0.0000000), wk = 0.0029326 k( 35) = ( 0.3617021 0.2088288 -0.0000000), wk = 0.0029326 k( 36) = ( 0.3723404 0.2149708 -0.0000000), wk = 0.0029326 k( 37) = ( 0.3829787 0.2211129 -0.0000000), wk = 0.0029326 k( 38) = ( 0.3936170 0.2272549 -0.0000000), wk = 0.0029326 k( 39) = ( 0.4042553 0.2333969 -0.0000000), wk = 0.0029326 k( 40) = ( 0.4148936 0.2395389 -0.0000000), wk = 0.0029326 k( 41) = ( 0.4255319 0.2456810 -0.0000000), wk = 0.0029326 k( 42) = ( 0.4361702 0.2518230 -0.0000000), wk = 0.0029326 k( 43) = ( 0.4468085 0.2579650 -0.0000000), wk = 0.0029326 k( 44) = ( 0.4574468 0.2641070 -0.0000000), wk = 0.0029326 k( 45) = ( 0.4680851 0.2702491 -0.0000000), wk = 0.0029326 k( 46) = ( 0.4787234 0.2763911 -0.0000000), wk = 0.0029326 k( 47) = ( 0.4893617 0.2825331 -0.0000000), wk = 0.0029326 k( 48) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029326 k( 49) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029326 k( 50) = ( 0.4940476 0.2989850 -0.0000000), wk = 0.0029326 k( 51) = ( 0.4880952 0.3092948 -0.0000000), wk = 0.0029326 k( 52) = ( 0.4821429 0.3196046 -0.0000000), wk = 0.0029326 k( 53) = ( 0.4761905 0.3299144 -0.0000000), wk = 0.0029326 k( 54) = ( 0.4702381 0.3402243 -0.0000000), wk = 0.0029326 k( 55) = ( 0.4642857 0.3505341 -0.0000000), wk = 0.0029326 k( 56) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0029326 k( 57) = ( 0.4523810 0.3711537 -0.0000000), wk = 0.0029326 k( 58) = ( 0.4464286 0.3814636 -0.0000000), wk = 0.0029326 k( 59) = ( 0.4404762 0.3917734 -0.0000000), wk = 0.0029326 k( 60) = ( 0.4345238 0.4020832 -0.0000000), wk = 0.0029326 k( 61) = ( 0.4285714 0.4123930 -0.0000000), wk = 0.0029326 k( 62) = ( 0.4226190 0.4227029 -0.0000000), wk = 0.0029326 k( 63) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0029326 k( 64) = ( 0.4107143 0.4433225 -0.0000000), wk = 0.0029326 k( 65) = ( 0.4047619 0.4536324 -0.0000000), wk = 0.0029326 k( 66) = ( 0.3988095 0.4639422 -0.0000000), wk = 0.0029326 k( 67) = ( 0.3928571 0.4742520 -0.0000000), wk = 0.0029326 k( 68) = ( 0.3869048 0.4845618 -0.0000000), wk = 0.0029326 k( 69) = ( 0.3809524 0.4948717 -0.0000000), wk = 0.0029326 k( 70) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0029326 k( 71) = ( 0.3690476 0.5154913 -0.0000000), wk = 0.0029326 k( 72) = ( 0.3630952 0.5258011 -0.0000000), wk = 0.0029326 k( 73) = ( 0.3571429 0.5361110 -0.0000000), wk = 0.0029326 k( 74) = ( 0.3511905 0.5464208 -0.0000000), wk = 0.0029326 k( 75) = ( 0.3452381 0.5567306 -0.0000000), wk = 0.0029326 k( 76) = ( 0.3392857 0.5670404 -0.0000000), wk = 0.0029326 k( 77) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029326 k( 78) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029326 k( 79) = ( 0.3272727 0.5668530 -0.0000000), wk = 0.0029326 k( 80) = ( 0.3212121 0.5563557 -0.0000000), wk = 0.0029326 k( 81) = ( 0.3151515 0.5458584 -0.0000000), wk = 0.0029326 k( 82) = ( 0.3090909 0.5353612 -0.0000000), wk = 0.0029326 k( 83) = ( 0.3030303 0.5248639 -0.0000000), wk = 0.0029326 k( 84) = ( 0.2969697 0.5143666 -0.0000000), wk = 0.0029326 k( 85) = ( 0.2909091 0.5038693 -0.0000000), wk = 0.0029326 k( 86) = ( 0.2848485 0.4933720 -0.0000000), wk = 0.0029326 k( 87) = ( 0.2787879 0.4828748 -0.0000000), wk = 0.0029326 k( 88) = ( 0.2727273 0.4723775 -0.0000000), wk = 0.0029326 k( 89) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0029326 k( 90) = ( 0.2606061 0.4513829 -0.0000000), wk = 0.0029326 k( 91) = ( 0.2545455 0.4408857 -0.0000000), wk = 0.0029326 k( 92) = ( 0.2484849 0.4303884 -0.0000000), wk = 0.0029326 k( 93) = ( 0.2424242 0.4198911 -0.0000000), wk = 0.0029326 k( 94) = ( 0.2363636 0.4093938 -0.0000000), wk = 0.0029326 k( 95) = ( 0.2303030 0.3988965 -0.0000000), wk = 0.0029326 k( 96) = ( 0.2242424 0.3883993 -0.0000000), wk = 0.0029326 k( 97) = ( 0.2181818 0.3779020 -0.0000000), wk = 0.0029326 k( 98) = ( 0.2121212 0.3674047 -0.0000000), wk = 0.0029326 k( 99) = ( 0.2060606 0.3569074 -0.0000000), wk = 0.0029326 k( 100) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0029326 k( 101) = ( 0.1939394 0.3359129 -0.0000000), wk = 0.0029326 k( 102) = ( 0.1878788 0.3254156 -0.0000000), wk = 0.0029326 k( 103) = ( 0.1818182 0.3149183 -0.0000000), wk = 0.0029326 k( 104) = ( 0.1757576 0.3044211 -0.0000000), wk = 0.0029326 k( 105) = ( 0.1696970 0.2939238 -0.0000000), wk = 0.0029326 k( 106) = ( 0.1636364 0.2834265 -0.0000000), wk = 0.0029326 k( 107) = ( 0.1575758 0.2729292 -0.0000000), wk = 0.0029326 k( 108) = ( 0.1515151 0.2624319 -0.0000000), wk = 0.0029326 k( 109) = ( 0.1454545 0.2519347 -0.0000000), wk = 0.0029326 k( 110) = ( 0.1393939 0.2414374 -0.0000000), wk = 0.0029326 k( 111) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0029326 k( 112) = ( 0.1272727 0.2204428 -0.0000000), wk = 0.0029326 k( 113) = ( 0.1212121 0.2099456 -0.0000000), wk = 0.0029326 k( 114) = ( 0.1151515 0.1994483 -0.0000000), wk = 0.0029326 k( 115) = ( 0.1090909 0.1889510 -0.0000000), wk = 0.0029326 k( 116) = ( 0.1030303 0.1784537 -0.0000000), wk = 0.0029326 k( 117) = ( 0.0969697 0.1679564 -0.0000000), wk = 0.0029326 k( 118) = ( 0.0909091 0.1574592 -0.0000000), wk = 0.0029326 k( 119) = ( 0.0848485 0.1469619 -0.0000000), wk = 0.0029326 k( 120) = ( 0.0787879 0.1364646 -0.0000000), wk = 0.0029326 k( 121) = ( 0.0727273 0.1259673 -0.0000000), wk = 0.0029326 k( 122) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0029326 k( 123) = ( 0.0606061 0.1049728 -0.0000000), wk = 0.0029326 k( 124) = ( 0.0545455 0.0944755 -0.0000000), wk = 0.0029326 k( 125) = ( 0.0484849 0.0839782 -0.0000000), wk = 0.0029326 k( 126) = ( 0.0424242 0.0734809 -0.0000000), wk = 0.0029326 k( 127) = ( 0.0363636 0.0629837 -0.0000000), wk = 0.0029326 k( 128) = ( 0.0303030 0.0524864 -0.0000000), wk = 0.0029326 k( 129) = ( 0.0242424 0.0419891 -0.0000000), wk = 0.0029326 k( 130) = ( 0.0181818 0.0314918 -0.0000000), wk = 0.0029326 k( 131) = ( 0.0121212 0.0209946 -0.0000000), wk = 0.0029326 k( 132) = ( 0.0060606 0.0104973 -0.0000000), wk = 0.0029326 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 134) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 135) = ( 0.0000000 0.0000000 0.0118506), wk = 0.0029326 k( 136) = ( 0.0000000 0.0000000 0.0237012), wk = 0.0029326 k( 137) = ( 0.0000000 0.0000000 0.0355518), wk = 0.0029326 k( 138) = ( 0.0000000 0.0000000 0.0474024), wk = 0.0029326 k( 139) = ( 0.0000000 0.0000000 0.0592530), wk = 0.0029326 k( 140) = ( 0.0000000 0.0000000 0.0711036), wk = 0.0029326 k( 141) = ( 0.0000000 0.0000000 0.0829542), wk = 0.0029326 k( 142) = ( 0.0000000 0.0000000 0.0948048), wk = 0.0029326 k( 143) = ( 0.0000000 0.0000000 0.1066554), wk = 0.0029326 k( 144) = ( 0.0000000 0.0000000 0.1185060), wk = 0.0029326 k( 145) = ( 0.0000000 0.0000000 0.1303566), wk = 0.0029326 k( 146) = ( 0.0000000 0.0000000 0.1422072), wk = 0.0029326 k( 147) = ( 0.0000000 0.0000000 0.1540578), wk = 0.0029326 k( 148) = ( 0.0000000 0.0000000 0.1659084), wk = 0.0029326 k( 149) = ( 0.0000000 0.0000000 0.1777590), wk = 0.0029326 k( 150) = ( 0.0000000 0.0000000 0.1896096), wk = 0.0029326 k( 151) = ( 0.0000000 0.0000000 0.2014602), wk = 0.0029326 k( 152) = ( 0.0000000 0.0000000 0.2133108), wk = 0.0029326 k( 153) = ( 0.0000000 0.0000000 0.2251614), wk = 0.0029326 k( 154) = ( 0.0000000 0.0000000 0.2370120), wk = 0.0029326 k( 155) = ( 0.0000000 0.0000000 0.2488626), wk = 0.0029326 k( 156) = ( 0.0000000 0.0000000 0.2607132), wk = 0.0029326 k( 157) = ( 0.0000000 0.0000000 0.2725638), wk = 0.0029326 k( 158) = ( 0.0000000 0.0000000 0.2844144), wk = 0.0029326 k( 159) = ( 0.0000000 0.0000000 0.2844144), wk = 0.0029326 k( 160) = ( 0.0106383 0.0061420 0.2844144), wk = 0.0029326 k( 161) = ( 0.0212766 0.0122841 0.2844144), wk = 0.0029326 k( 162) = ( 0.0319149 0.0184261 0.2844144), wk = 0.0029326 k( 163) = ( 0.0425532 0.0245681 0.2844144), wk = 0.0029326 k( 164) = ( 0.0531915 0.0307101 0.2844144), wk = 0.0029326 k( 165) = ( 0.0638298 0.0368521 0.2844144), wk = 0.0029326 k( 166) = ( 0.0744681 0.0429942 0.2844144), wk = 0.0029326 k( 167) = ( 0.0851064 0.0491362 0.2844144), wk = 0.0029326 k( 168) = ( 0.0957447 0.0552782 0.2844144), wk = 0.0029326 k( 169) = ( 0.1063830 0.0614202 0.2844144), wk = 0.0029326 k( 170) = ( 0.1170213 0.0675623 0.2844144), wk = 0.0029326 k( 171) = ( 0.1276596 0.0737043 0.2844144), wk = 0.0029326 k( 172) = ( 0.1382979 0.0798463 0.2844144), wk = 0.0029326 k( 173) = ( 0.1489362 0.0859883 0.2844144), wk = 0.0029326 k( 174) = ( 0.1595745 0.0921304 0.2844144), wk = 0.0029326 k( 175) = ( 0.1702128 0.0982724 0.2844144), wk = 0.0029326 k( 176) = ( 0.1808511 0.1044144 0.2844144), wk = 0.0029326 k( 177) = ( 0.1914894 0.1105564 0.2844144), wk = 0.0029326 k( 178) = ( 0.2021277 0.1166985 0.2844144), wk = 0.0029326 k( 179) = ( 0.2127660 0.1228405 0.2844144), wk = 0.0029326 k( 180) = ( 0.2234043 0.1289825 0.2844144), wk = 0.0029326 k( 181) = ( 0.2340425 0.1351245 0.2844144), wk = 0.0029326 k( 182) = ( 0.2446809 0.1412666 0.2844144), wk = 0.0029326 k( 183) = ( 0.2553191 0.1474086 0.2844144), wk = 0.0029326 k( 184) = ( 0.2659574 0.1535506 0.2844144), wk = 0.0029326 k( 185) = ( 0.2765957 0.1596926 0.2844144), wk = 0.0029326 k( 186) = ( 0.2872340 0.1658347 0.2844144), wk = 0.0029326 k( 187) = ( 0.2978723 0.1719767 0.2844144), wk = 0.0029326 k( 188) = ( 0.3085106 0.1781187 0.2844144), wk = 0.0029326 k( 189) = ( 0.3191489 0.1842607 0.2844144), wk = 0.0029326 k( 190) = ( 0.3297872 0.1904027 0.2844144), wk = 0.0029326 k( 191) = ( 0.3404255 0.1965448 0.2844144), wk = 0.0029326 k( 192) = ( 0.3510638 0.2026868 0.2844144), wk = 0.0029326 k( 193) = ( 0.3617021 0.2088288 0.2844144), wk = 0.0029326 k( 194) = ( 0.3723404 0.2149708 0.2844144), wk = 0.0029326 k( 195) = ( 0.3829787 0.2211129 0.2844144), wk = 0.0029326 k( 196) = ( 0.3936170 0.2272549 0.2844144), wk = 0.0029326 k( 197) = ( 0.4042553 0.2333969 0.2844144), wk = 0.0029326 k( 198) = ( 0.4148936 0.2395389 0.2844144), wk = 0.0029326 k( 199) = ( 0.4255319 0.2456810 0.2844144), wk = 0.0029326 k( 200) = ( 0.4361702 0.2518230 0.2844144), wk = 0.0029326 k( 201) = ( 0.4468085 0.2579650 0.2844144), wk = 0.0029326 k( 202) = ( 0.4574468 0.2641070 0.2844144), wk = 0.0029326 k( 203) = ( 0.4680851 0.2702491 0.2844144), wk = 0.0029326 k( 204) = ( 0.4787234 0.2763911 0.2844144), wk = 0.0029326 k( 205) = ( 0.4893617 0.2825331 0.2844144), wk = 0.0029326 k( 206) = ( 0.5000000 0.2886751 0.2844144), wk = 0.0029326 k( 207) = ( 0.5000000 0.2886751 0.2844144), wk = 0.0029326 k( 208) = ( 0.4940476 0.2989850 0.2844144), wk = 0.0029326 k( 209) = ( 0.4880952 0.3092948 0.2844144), wk = 0.0029326 k( 210) = ( 0.4821429 0.3196046 0.2844144), wk = 0.0029326 k( 211) = ( 0.4761905 0.3299144 0.2844144), wk = 0.0029326 k( 212) = ( 0.4702381 0.3402243 0.2844144), wk = 0.0029326 k( 213) = ( 0.4642857 0.3505341 0.2844144), wk = 0.0029326 k( 214) = ( 0.4583333 0.3608439 0.2844144), wk = 0.0029326 k( 215) = ( 0.4523810 0.3711537 0.2844144), wk = 0.0029326 k( 216) = ( 0.4464286 0.3814636 0.2844144), wk = 0.0029326 k( 217) = ( 0.4404762 0.3917734 0.2844144), wk = 0.0029326 k( 218) = ( 0.4345238 0.4020832 0.2844144), wk = 0.0029326 k( 219) = ( 0.4285714 0.4123930 0.2844144), wk = 0.0029326 k( 220) = ( 0.4226190 0.4227029 0.2844144), wk = 0.0029326 k( 221) = ( 0.4166667 0.4330127 0.2844144), wk = 0.0029326 k( 222) = ( 0.4107143 0.4433225 0.2844144), wk = 0.0029326 k( 223) = ( 0.4047619 0.4536324 0.2844144), wk = 0.0029326 k( 224) = ( 0.3988095 0.4639422 0.2844144), wk = 0.0029326 k( 225) = ( 0.3928571 0.4742520 0.2844144), wk = 0.0029326 k( 226) = ( 0.3869048 0.4845618 0.2844144), wk = 0.0029326 k( 227) = ( 0.3809524 0.4948717 0.2844144), wk = 0.0029326 k( 228) = ( 0.3750000 0.5051815 0.2844144), wk = 0.0029326 k( 229) = ( 0.3690476 0.5154913 0.2844144), wk = 0.0029326 k( 230) = ( 0.3630952 0.5258011 0.2844144), wk = 0.0029326 k( 231) = ( 0.3571429 0.5361110 0.2844144), wk = 0.0029326 k( 232) = ( 0.3511905 0.5464208 0.2844144), wk = 0.0029326 k( 233) = ( 0.3452381 0.5567306 0.2844144), wk = 0.0029326 k( 234) = ( 0.3392857 0.5670404 0.2844144), wk = 0.0029326 k( 235) = ( 0.3333333 0.5773503 0.2844144), wk = 0.0029326 k( 236) = ( 0.3333333 0.5773503 0.2844144), wk = 0.0029326 k( 237) = ( 0.3272727 0.5668530 0.2844144), wk = 0.0029326 k( 238) = ( 0.3212121 0.5563557 0.2844144), wk = 0.0029326 k( 239) = ( 0.3151515 0.5458584 0.2844144), wk = 0.0029326 k( 240) = ( 0.3090909 0.5353612 0.2844144), wk = 0.0029326 k( 241) = ( 0.3030303 0.5248639 0.2844144), wk = 0.0029326 k( 242) = ( 0.2969697 0.5143666 0.2844144), wk = 0.0029326 k( 243) = ( 0.2909091 0.5038693 0.2844144), wk = 0.0029326 k( 244) = ( 0.2848485 0.4933720 0.2844144), wk = 0.0029326 k( 245) = ( 0.2787879 0.4828748 0.2844144), wk = 0.0029326 k( 246) = ( 0.2727273 0.4723775 0.2844144), wk = 0.0029326 k( 247) = ( 0.2666667 0.4618802 0.2844144), wk = 0.0029326 k( 248) = ( 0.2606061 0.4513829 0.2844144), wk = 0.0029326 k( 249) = ( 0.2545455 0.4408857 0.2844144), wk = 0.0029326 k( 250) = ( 0.2484849 0.4303884 0.2844144), wk = 0.0029326 k( 251) = ( 0.2424242 0.4198911 0.2844144), wk = 0.0029326 k( 252) = ( 0.2363636 0.4093938 0.2844144), wk = 0.0029326 k( 253) = ( 0.2303030 0.3988965 0.2844144), wk = 0.0029326 k( 254) = ( 0.2242424 0.3883993 0.2844144), wk = 0.0029326 k( 255) = ( 0.2181818 0.3779020 0.2844144), wk = 0.0029326 k( 256) = ( 0.2121212 0.3674047 0.2844144), wk = 0.0029326 k( 257) = ( 0.2060606 0.3569074 0.2844144), wk = 0.0029326 k( 258) = ( 0.2000000 0.3464102 0.2844144), wk = 0.0029326 k( 259) = ( 0.1939394 0.3359129 0.2844144), wk = 0.0029326 k( 260) = ( 0.1878788 0.3254156 0.2844144), wk = 0.0029326 k( 261) = ( 0.1818182 0.3149183 0.2844144), wk = 0.0029326 k( 262) = ( 0.1757576 0.3044211 0.2844144), wk = 0.0029326 k( 263) = ( 0.1696970 0.2939238 0.2844144), wk = 0.0029326 k( 264) = ( 0.1636364 0.2834265 0.2844144), wk = 0.0029326 k( 265) = ( 0.1575758 0.2729292 0.2844144), wk = 0.0029326 k( 266) = ( 0.1515151 0.2624319 0.2844144), wk = 0.0029326 k( 267) = ( 0.1454545 0.2519347 0.2844144), wk = 0.0029326 k( 268) = ( 0.1393939 0.2414374 0.2844144), wk = 0.0029326 k( 269) = ( 0.1333333 0.2309401 0.2844144), wk = 0.0029326 k( 270) = ( 0.1272727 0.2204428 0.2844144), wk = 0.0029326 k( 271) = ( 0.1212121 0.2099456 0.2844144), wk = 0.0029326 k( 272) = ( 0.1151515 0.1994483 0.2844144), wk = 0.0029326 k( 273) = ( 0.1090909 0.1889510 0.2844144), wk = 0.0029326 k( 274) = ( 0.1030303 0.1784537 0.2844144), wk = 0.0029326 k( 275) = ( 0.0969697 0.1679564 0.2844144), wk = 0.0029326 k( 276) = ( 0.0909091 0.1574592 0.2844144), wk = 0.0029326 k( 277) = ( 0.0848485 0.1469619 0.2844144), wk = 0.0029326 k( 278) = ( 0.0787879 0.1364646 0.2844144), wk = 0.0029326 k( 279) = ( 0.0727273 0.1259673 0.2844144), wk = 0.0029326 k( 280) = ( 0.0666667 0.1154701 0.2844144), wk = 0.0029326 k( 281) = ( 0.0606061 0.1049728 0.2844144), wk = 0.0029326 k( 282) = ( 0.0545455 0.0944755 0.2844144), wk = 0.0029326 k( 283) = ( 0.0484849 0.0839782 0.2844144), wk = 0.0029326 k( 284) = ( 0.0424242 0.0734809 0.2844144), wk = 0.0029326 k( 285) = ( 0.0363636 0.0629837 0.2844144), wk = 0.0029326 k( 286) = ( 0.0303030 0.0524864 0.2844144), wk = 0.0029326 k( 287) = ( 0.0242424 0.0419891 0.2844144), wk = 0.0029326 k( 288) = ( 0.0181818 0.0314918 0.2844144), wk = 0.0029326 k( 289) = ( 0.0121212 0.0209946 0.2844144), wk = 0.0029326 k( 290) = ( 0.0060606 0.0104973 0.2844144), wk = 0.0029326 k( 291) = ( 0.0000000 0.0000000 0.2844144), wk = 0.0029326 k( 292) = ( 0.5000000 0.2886751 0.2844144), wk = 0.0029326 k( 293) = ( 0.5000000 0.2886751 0.2725638), wk = 0.0029326 k( 294) = ( 0.5000000 0.2886751 0.2607132), wk = 0.0029326 k( 295) = ( 0.5000000 0.2886751 0.2488626), wk = 0.0029326 k( 296) = ( 0.5000000 0.2886751 0.2370120), wk = 0.0029326 k( 297) = ( 0.5000000 0.2886751 0.2251614), wk = 0.0029326 k( 298) = ( 0.5000000 0.2886751 0.2133108), wk = 0.0029326 k( 299) = ( 0.5000000 0.2886751 0.2014602), wk = 0.0029326 k( 300) = ( 0.5000000 0.2886751 0.1896096), wk = 0.0029326 k( 301) = ( 0.5000000 0.2886751 0.1777590), wk = 0.0029326 k( 302) = ( 0.5000000 0.2886751 0.1659084), wk = 0.0029326 k( 303) = ( 0.5000000 0.2886751 0.1540578), wk = 0.0029326 k( 304) = ( 0.5000000 0.2886751 0.1422072), wk = 0.0029326 k( 305) = ( 0.5000000 0.2886751 0.1303566), wk = 0.0029326 k( 306) = ( 0.5000000 0.2886751 0.1185060), wk = 0.0029326 k( 307) = ( 0.5000000 0.2886751 0.1066554), wk = 0.0029326 k( 308) = ( 0.5000000 0.2886751 0.0948048), wk = 0.0029326 k( 309) = ( 0.5000000 0.2886751 0.0829542), wk = 0.0029326 k( 310) = ( 0.5000000 0.2886751 0.0711036), wk = 0.0029326 k( 311) = ( 0.5000000 0.2886751 0.0592530), wk = 0.0029326 k( 312) = ( 0.5000000 0.2886751 0.0474024), wk = 0.0029326 k( 313) = ( 0.5000000 0.2886751 0.0355518), wk = 0.0029326 k( 314) = ( 0.5000000 0.2886751 0.0237012), wk = 0.0029326 k( 315) = ( 0.5000000 0.2886751 0.0118506), wk = 0.0029326 k( 316) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029326 k( 317) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029326 k( 318) = ( 0.3333333 0.5773503 0.0118506), wk = 0.0029326 k( 319) = ( 0.3333333 0.5773503 0.0237012), wk = 0.0029326 k( 320) = ( 0.3333333 0.5773503 0.0355518), wk = 0.0029326 k( 321) = ( 0.3333333 0.5773503 0.0474024), wk = 0.0029326 k( 322) = ( 0.3333333 0.5773503 0.0592530), wk = 0.0029326 k( 323) = ( 0.3333333 0.5773503 0.0711036), wk = 0.0029326 k( 324) = ( 0.3333333 0.5773503 0.0829542), wk = 0.0029326 k( 325) = ( 0.3333333 0.5773503 0.0948048), wk = 0.0029326 k( 326) = ( 0.3333333 0.5773503 0.1066554), wk = 0.0029326 k( 327) = ( 0.3333333 0.5773503 0.1185060), wk = 0.0029326 k( 328) = ( 0.3333333 0.5773503 0.1303566), wk = 0.0029326 k( 329) = ( 0.3333333 0.5773503 0.1422072), wk = 0.0029326 k( 330) = ( 0.3333333 0.5773503 0.1540578), wk = 0.0029326 k( 331) = ( 0.3333333 0.5773503 0.1659084), wk = 0.0029326 k( 332) = ( 0.3333333 0.5773503 0.1777590), wk = 0.0029326 k( 333) = ( 0.3333333 0.5773503 0.1896096), wk = 0.0029326 k( 334) = ( 0.3333333 0.5773503 0.2014602), wk = 0.0029326 k( 335) = ( 0.3333333 0.5773503 0.2133108), wk = 0.0029326 k( 336) = ( 0.3333333 0.5773503 0.2251614), wk = 0.0029326 k( 337) = ( 0.3333333 0.5773503 0.2370120), wk = 0.0029326 k( 338) = ( 0.3333333 0.5773503 0.2488626), wk = 0.0029326 k( 339) = ( 0.3333333 0.5773503 0.2607132), wk = 0.0029326 k( 340) = ( 0.3333333 0.5773503 0.2725638), wk = 0.0029326 k( 341) = ( 0.3333333 0.5773503 0.2844144), wk = 0.0029326 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 2) = ( 0.0106383 0.0000000 -0.0000000), wk = 0.0029326 k( 3) = ( 0.0212766 0.0000000 -0.0000000), wk = 0.0029326 k( 4) = ( 0.0319149 -0.0000000 0.0000000), wk = 0.0029326 k( 5) = ( 0.0425532 0.0000000 -0.0000000), wk = 0.0029326 k( 6) = ( 0.0531915 -0.0000000 0.0000000), wk = 0.0029326 k( 7) = ( 0.0638298 -0.0000000 0.0000000), wk = 0.0029326 k( 8) = ( 0.0744681 -0.0000000 -0.0000000), wk = 0.0029326 k( 9) = ( 0.0851064 0.0000000 -0.0000000), wk = 0.0029326 k( 10) = ( 0.0957447 -0.0000000 0.0000000), wk = 0.0029326 k( 11) = ( 0.1063830 -0.0000000 0.0000000), wk = 0.0029326 k( 12) = ( 0.1170213 0.0000000 0.0000000), wk = 0.0029326 k( 13) = ( 0.1276596 0.0000000 0.0000000), wk = 0.0029326 k( 14) = ( 0.1382979 -0.0000000 0.0000000), wk = 0.0029326 k( 15) = ( 0.1489362 -0.0000000 0.0000000), wk = 0.0029326 k( 16) = ( 0.1595745 -0.0000000 -0.0000000), wk = 0.0029326 k( 17) = ( 0.1702128 0.0000000 -0.0000000), wk = 0.0029326 k( 18) = ( 0.1808511 0.0000000 0.0000000), wk = 0.0029326 k( 19) = ( 0.1914894 -0.0000000 0.0000000), wk = 0.0029326 k( 20) = ( 0.2021277 -0.0000000 0.0000000), wk = 0.0029326 k( 21) = ( 0.2127660 -0.0000000 0.0000000), wk = 0.0029326 k( 22) = ( 0.2234043 0.0000000 0.0000000), wk = 0.0029326 k( 23) = ( 0.2340425 0.0000000 0.0000000), wk = 0.0029326 k( 24) = ( 0.2446809 0.0000000 0.0000000), wk = 0.0029326 k( 25) = ( 0.2553191 -0.0000000 -0.0000000), wk = 0.0029326 k( 26) = ( 0.2659574 -0.0000000 0.0000000), wk = 0.0029326 k( 27) = ( 0.2765957 -0.0000000 0.0000000), wk = 0.0029326 k( 28) = ( 0.2872340 -0.0000000 0.0000000), wk = 0.0029326 k( 29) = ( 0.2978723 -0.0000000 0.0000000), wk = 0.0029326 k( 30) = ( 0.3085106 -0.0000000 0.0000000), wk = 0.0029326 k( 31) = ( 0.3191489 -0.0000000 -0.0000000), wk = 0.0029326 k( 32) = ( 0.3297872 0.0000000 0.0000000), wk = 0.0029326 k( 33) = ( 0.3404255 0.0000000 0.0000000), wk = 0.0029326 k( 34) = ( 0.3510638 0.0000000 0.0000000), wk = 0.0029326 k( 35) = ( 0.3617021 0.0000000 0.0000000), wk = 0.0029326 k( 36) = ( 0.3723404 0.0000000 0.0000000), wk = 0.0029326 k( 37) = ( 0.3829787 -0.0000000 0.0000000), wk = 0.0029326 k( 38) = ( 0.3936170 -0.0000000 0.0000000), wk = 0.0029326 k( 39) = ( 0.4042553 -0.0000000 0.0000000), wk = 0.0029326 k( 40) = ( 0.4148936 -0.0000000 0.0000000), wk = 0.0029326 k( 41) = ( 0.4255319 0.0000000 0.0000000), wk = 0.0029326 k( 42) = ( 0.4361702 0.0000000 0.0000000), wk = 0.0029326 k( 43) = ( 0.4468085 0.0000000 0.0000000), wk = 0.0029326 k( 44) = ( 0.4574468 0.0000000 -0.0000000), wk = 0.0029326 k( 45) = ( 0.4680851 -0.0000000 0.0000000), wk = 0.0029326 k( 46) = ( 0.4787234 0.0000000 -0.0000000), wk = 0.0029326 k( 47) = ( 0.4893617 0.0000000 0.0000000), wk = 0.0029326 k( 48) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0029326 k( 49) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0029326 k( 50) = ( 0.4940476 0.0119048 0.0000000), wk = 0.0029326 k( 51) = ( 0.4880952 0.0238095 0.0000000), wk = 0.0029326 k( 52) = ( 0.4821429 0.0357143 -0.0000000), wk = 0.0029326 k( 53) = ( 0.4761905 0.0476191 -0.0000000), wk = 0.0029326 k( 54) = ( 0.4702381 0.0595238 0.0000000), wk = 0.0029326 k( 55) = ( 0.4642857 0.0714286 0.0000000), wk = 0.0029326 k( 56) = ( 0.4583333 0.0833333 0.0000000), wk = 0.0029326 k( 57) = ( 0.4523810 0.0952381 -0.0000000), wk = 0.0029326 k( 58) = ( 0.4464286 0.1071429 0.0000000), wk = 0.0029326 k( 59) = ( 0.4404762 0.1190476 -0.0000000), wk = 0.0029326 k( 60) = ( 0.4345238 0.1309524 0.0000000), wk = 0.0029326 k( 61) = ( 0.4285714 0.1428571 -0.0000000), wk = 0.0029326 k( 62) = ( 0.4226190 0.1547619 0.0000000), wk = 0.0029326 k( 63) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0029326 k( 64) = ( 0.4107143 0.1785714 0.0000000), wk = 0.0029326 k( 65) = ( 0.4047619 0.1904762 -0.0000000), wk = 0.0029326 k( 66) = ( 0.3988095 0.2023810 0.0000000), wk = 0.0029326 k( 67) = ( 0.3928571 0.2142857 -0.0000000), wk = 0.0029326 k( 68) = ( 0.3869048 0.2261905 0.0000000), wk = 0.0029326 k( 69) = ( 0.3809524 0.2380952 -0.0000000), wk = 0.0029326 k( 70) = ( 0.3750000 0.2500000 0.0000000), wk = 0.0029326 k( 71) = ( 0.3690476 0.2619048 0.0000000), wk = 0.0029326 k( 72) = ( 0.3630952 0.2738095 0.0000000), wk = 0.0029326 k( 73) = ( 0.3571429 0.2857143 -0.0000000), wk = 0.0029326 k( 74) = ( 0.3511905 0.2976190 -0.0000000), wk = 0.0029326 k( 75) = ( 0.3452381 0.3095238 0.0000000), wk = 0.0029326 k( 76) = ( 0.3392857 0.3214286 0.0000000), wk = 0.0029326 k( 77) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0029326 k( 78) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0029326 k( 79) = ( 0.3272727 0.3272727 0.0000000), wk = 0.0029326 k( 80) = ( 0.3212121 0.3212121 -0.0000000), wk = 0.0029326 k( 81) = ( 0.3151515 0.3151515 0.0000000), wk = 0.0029326 k( 82) = ( 0.3090909 0.3090909 -0.0000000), wk = 0.0029326 k( 83) = ( 0.3030303 0.3030303 -0.0000000), wk = 0.0029326 k( 84) = ( 0.2969697 0.2969697 0.0000000), wk = 0.0029326 k( 85) = ( 0.2909091 0.2909091 -0.0000000), wk = 0.0029326 k( 86) = ( 0.2848485 0.2848485 0.0000000), wk = 0.0029326 k( 87) = ( 0.2787879 0.2787879 -0.0000000), wk = 0.0029326 k( 88) = ( 0.2727273 0.2727273 -0.0000000), wk = 0.0029326 k( 89) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0029326 k( 90) = ( 0.2606061 0.2606061 -0.0000000), wk = 0.0029326 k( 91) = ( 0.2545455 0.2545455 0.0000000), wk = 0.0029326 k( 92) = ( 0.2484849 0.2484849 -0.0000000), wk = 0.0029326 k( 93) = ( 0.2424242 0.2424242 0.0000000), wk = 0.0029326 k( 94) = ( 0.2363636 0.2363636 -0.0000000), wk = 0.0029326 k( 95) = ( 0.2303030 0.2303030 0.0000000), wk = 0.0029326 k( 96) = ( 0.2242424 0.2242424 -0.0000000), wk = 0.0029326 k( 97) = ( 0.2181818 0.2181818 -0.0000000), wk = 0.0029326 k( 98) = ( 0.2121212 0.2121212 -0.0000000), wk = 0.0029326 k( 99) = ( 0.2060606 0.2060606 0.0000000), wk = 0.0029326 k( 100) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0029326 k( 101) = ( 0.1939394 0.1939394 0.0000000), wk = 0.0029326 k( 102) = ( 0.1878788 0.1878788 0.0000000), wk = 0.0029326 k( 103) = ( 0.1818182 0.1818182 -0.0000000), wk = 0.0029326 k( 104) = ( 0.1757576 0.1757576 0.0000000), wk = 0.0029326 k( 105) = ( 0.1696970 0.1696970 0.0000000), wk = 0.0029326 k( 106) = ( 0.1636364 0.1636364 0.0000000), wk = 0.0029326 k( 107) = ( 0.1575758 0.1575758 0.0000000), wk = 0.0029326 k( 108) = ( 0.1515151 0.1515151 -0.0000000), wk = 0.0029326 k( 109) = ( 0.1454545 0.1454545 -0.0000000), wk = 0.0029326 k( 110) = ( 0.1393939 0.1393939 -0.0000000), wk = 0.0029326 k( 111) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0029326 k( 112) = ( 0.1272727 0.1272727 0.0000000), wk = 0.0029326 k( 113) = ( 0.1212121 0.1212121 0.0000000), wk = 0.0029326 k( 114) = ( 0.1151515 0.1151515 -0.0000000), wk = 0.0029326 k( 115) = ( 0.1090909 0.1090909 -0.0000000), wk = 0.0029326 k( 116) = ( 0.1030303 0.1030303 0.0000000), wk = 0.0029326 k( 117) = ( 0.0969697 0.0969697 0.0000000), wk = 0.0029326 k( 118) = ( 0.0909091 0.0909091 -0.0000000), wk = 0.0029326 k( 119) = ( 0.0848485 0.0848485 -0.0000000), wk = 0.0029326 k( 120) = ( 0.0787879 0.0787879 0.0000000), wk = 0.0029326 k( 121) = ( 0.0727273 0.0727273 0.0000000), wk = 0.0029326 k( 122) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0029326 k( 123) = ( 0.0606061 0.0606061 0.0000000), wk = 0.0029326 k( 124) = ( 0.0545455 0.0545455 -0.0000000), wk = 0.0029326 k( 125) = ( 0.0484849 0.0484849 0.0000000), wk = 0.0029326 k( 126) = ( 0.0424242 0.0424242 -0.0000000), wk = 0.0029326 k( 127) = ( 0.0363636 0.0363636 0.0000000), wk = 0.0029326 k( 128) = ( 0.0303030 0.0303030 0.0000000), wk = 0.0029326 k( 129) = ( 0.0242424 0.0242424 0.0000000), wk = 0.0029326 k( 130) = ( 0.0181818 0.0181818 0.0000000), wk = 0.0029326 k( 131) = ( 0.0121212 0.0121212 0.0000000), wk = 0.0029326 k( 132) = ( 0.0060606 0.0060606 -0.0000000), wk = 0.0029326 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 134) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 135) = ( 0.0000000 0.0000000 0.0208333), wk = 0.0029326 k( 136) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0029326 k( 137) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0029326 k( 138) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0029326 k( 139) = ( 0.0000000 0.0000000 0.1041667), wk = 0.0029326 k( 140) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0029326 k( 141) = ( 0.0000000 0.0000000 0.1458333), wk = 0.0029326 k( 142) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0029326 k( 143) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0029326 k( 144) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0029326 k( 145) = ( 0.0000000 0.0000000 0.2291667), wk = 0.0029326 k( 146) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0029326 k( 147) = ( 0.0000000 0.0000000 0.2708333), wk = 0.0029326 k( 148) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0029326 k( 149) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0029326 k( 150) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0029326 k( 151) = ( 0.0000000 0.0000000 0.3541667), wk = 0.0029326 k( 152) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0029326 k( 153) = ( 0.0000000 0.0000000 0.3958333), wk = 0.0029326 k( 154) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0029326 k( 155) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0029326 k( 156) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0029326 k( 157) = ( 0.0000000 0.0000000 0.4791667), wk = 0.0029326 k( 158) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029326 k( 159) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029326 k( 160) = ( 0.0106383 0.0000000 0.5000000), wk = 0.0029326 k( 161) = ( 0.0212766 0.0000000 0.5000000), wk = 0.0029326 k( 162) = ( 0.0319149 -0.0000000 0.5000000), wk = 0.0029326 k( 163) = ( 0.0425532 0.0000000 0.5000000), wk = 0.0029326 k( 164) = ( 0.0531915 -0.0000000 0.5000000), wk = 0.0029326 k( 165) = ( 0.0638298 -0.0000000 0.5000000), wk = 0.0029326 k( 166) = ( 0.0744681 -0.0000000 0.5000000), wk = 0.0029326 k( 167) = ( 0.0851064 0.0000000 0.5000000), wk = 0.0029326 k( 168) = ( 0.0957447 -0.0000000 0.5000000), wk = 0.0029326 k( 169) = ( 0.1063830 -0.0000000 0.5000000), wk = 0.0029326 k( 170) = ( 0.1170213 0.0000000 0.5000000), wk = 0.0029326 k( 171) = ( 0.1276596 0.0000000 0.5000000), wk = 0.0029326 k( 172) = ( 0.1382979 -0.0000000 0.5000000), wk = 0.0029326 k( 173) = ( 0.1489362 -0.0000000 0.5000000), wk = 0.0029326 k( 174) = ( 0.1595745 -0.0000000 0.5000000), wk = 0.0029326 k( 175) = ( 0.1702128 0.0000000 0.5000000), wk = 0.0029326 k( 176) = ( 0.1808511 0.0000000 0.5000000), wk = 0.0029326 k( 177) = ( 0.1914894 -0.0000000 0.5000000), wk = 0.0029326 k( 178) = ( 0.2021277 -0.0000000 0.5000000), wk = 0.0029326 k( 179) = ( 0.2127660 -0.0000000 0.5000000), wk = 0.0029326 k( 180) = ( 0.2234043 0.0000000 0.5000000), wk = 0.0029326 k( 181) = ( 0.2340425 0.0000000 0.5000000), wk = 0.0029326 k( 182) = ( 0.2446809 0.0000000 0.5000000), wk = 0.0029326 k( 183) = ( 0.2553191 -0.0000000 0.5000000), wk = 0.0029326 k( 184) = ( 0.2659574 -0.0000000 0.5000000), wk = 0.0029326 k( 185) = ( 0.2765957 -0.0000000 0.5000000), wk = 0.0029326 k( 186) = ( 0.2872340 -0.0000000 0.5000000), wk = 0.0029326 k( 187) = ( 0.2978723 -0.0000000 0.5000000), wk = 0.0029326 k( 188) = ( 0.3085106 -0.0000000 0.5000000), wk = 0.0029326 k( 189) = ( 0.3191489 -0.0000000 0.5000000), wk = 0.0029326 k( 190) = ( 0.3297872 0.0000000 0.5000000), wk = 0.0029326 k( 191) = ( 0.3404255 0.0000000 0.5000000), wk = 0.0029326 k( 192) = ( 0.3510638 0.0000000 0.5000000), wk = 0.0029326 k( 193) = ( 0.3617021 0.0000000 0.5000000), wk = 0.0029326 k( 194) = ( 0.3723404 0.0000000 0.5000000), wk = 0.0029326 k( 195) = ( 0.3829787 -0.0000000 0.5000000), wk = 0.0029326 k( 196) = ( 0.3936170 -0.0000000 0.5000000), wk = 0.0029326 k( 197) = ( 0.4042553 -0.0000000 0.5000000), wk = 0.0029326 k( 198) = ( 0.4148936 -0.0000000 0.5000000), wk = 0.0029326 k( 199) = ( 0.4255319 0.0000000 0.5000000), wk = 0.0029326 k( 200) = ( 0.4361702 0.0000000 0.5000000), wk = 0.0029326 k( 201) = ( 0.4468085 0.0000000 0.5000000), wk = 0.0029326 k( 202) = ( 0.4574468 0.0000000 0.5000000), wk = 0.0029326 k( 203) = ( 0.4680851 -0.0000000 0.5000000), wk = 0.0029326 k( 204) = ( 0.4787234 0.0000000 0.5000000), wk = 0.0029326 k( 205) = ( 0.4893617 0.0000000 0.5000000), wk = 0.0029326 k( 206) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029326 k( 207) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029326 k( 208) = ( 0.4940476 0.0119048 0.5000000), wk = 0.0029326 k( 209) = ( 0.4880952 0.0238095 0.5000000), wk = 0.0029326 k( 210) = ( 0.4821429 0.0357143 0.5000000), wk = 0.0029326 k( 211) = ( 0.4761905 0.0476191 0.5000000), wk = 0.0029326 k( 212) = ( 0.4702381 0.0595238 0.5000000), wk = 0.0029326 k( 213) = ( 0.4642857 0.0714286 0.5000000), wk = 0.0029326 k( 214) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0029326 k( 215) = ( 0.4523810 0.0952381 0.5000000), wk = 0.0029326 k( 216) = ( 0.4464286 0.1071429 0.5000000), wk = 0.0029326 k( 217) = ( 0.4404762 0.1190476 0.5000000), wk = 0.0029326 k( 218) = ( 0.4345238 0.1309524 0.5000000), wk = 0.0029326 k( 219) = ( 0.4285714 0.1428571 0.5000000), wk = 0.0029326 k( 220) = ( 0.4226190 0.1547619 0.5000000), wk = 0.0029326 k( 221) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0029326 k( 222) = ( 0.4107143 0.1785714 0.5000000), wk = 0.0029326 k( 223) = ( 0.4047619 0.1904762 0.5000000), wk = 0.0029326 k( 224) = ( 0.3988095 0.2023810 0.5000000), wk = 0.0029326 k( 225) = ( 0.3928571 0.2142857 0.5000000), wk = 0.0029326 k( 226) = ( 0.3869048 0.2261905 0.5000000), wk = 0.0029326 k( 227) = ( 0.3809524 0.2380952 0.5000000), wk = 0.0029326 k( 228) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0029326 k( 229) = ( 0.3690476 0.2619048 0.5000000), wk = 0.0029326 k( 230) = ( 0.3630952 0.2738095 0.5000000), wk = 0.0029326 k( 231) = ( 0.3571429 0.2857143 0.5000000), wk = 0.0029326 k( 232) = ( 0.3511905 0.2976190 0.5000000), wk = 0.0029326 k( 233) = ( 0.3452381 0.3095238 0.5000000), wk = 0.0029326 k( 234) = ( 0.3392857 0.3214286 0.5000000), wk = 0.0029326 k( 235) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029326 k( 236) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029326 k( 237) = ( 0.3272727 0.3272727 0.5000000), wk = 0.0029326 k( 238) = ( 0.3212121 0.3212121 0.5000000), wk = 0.0029326 k( 239) = ( 0.3151515 0.3151515 0.5000000), wk = 0.0029326 k( 240) = ( 0.3090909 0.3090909 0.5000000), wk = 0.0029326 k( 241) = ( 0.3030303 0.3030303 0.5000000), wk = 0.0029326 k( 242) = ( 0.2969697 0.2969697 0.5000000), wk = 0.0029326 k( 243) = ( 0.2909091 0.2909091 0.5000000), wk = 0.0029326 k( 244) = ( 0.2848485 0.2848485 0.5000000), wk = 0.0029326 k( 245) = ( 0.2787879 0.2787879 0.5000000), wk = 0.0029326 k( 246) = ( 0.2727273 0.2727273 0.5000000), wk = 0.0029326 k( 247) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0029326 k( 248) = ( 0.2606061 0.2606061 0.5000000), wk = 0.0029326 k( 249) = ( 0.2545455 0.2545455 0.5000000), wk = 0.0029326 k( 250) = ( 0.2484849 0.2484849 0.5000000), wk = 0.0029326 k( 251) = ( 0.2424242 0.2424242 0.5000000), wk = 0.0029326 k( 252) = ( 0.2363636 0.2363636 0.5000000), wk = 0.0029326 k( 253) = ( 0.2303030 0.2303030 0.5000000), wk = 0.0029326 k( 254) = ( 0.2242424 0.2242424 0.5000000), wk = 0.0029326 k( 255) = ( 0.2181818 0.2181818 0.5000000), wk = 0.0029326 k( 256) = ( 0.2121212 0.2121212 0.5000000), wk = 0.0029326 k( 257) = ( 0.2060606 0.2060606 0.5000000), wk = 0.0029326 k( 258) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0029326 k( 259) = ( 0.1939394 0.1939394 0.5000000), wk = 0.0029326 k( 260) = ( 0.1878788 0.1878788 0.5000000), wk = 0.0029326 k( 261) = ( 0.1818182 0.1818182 0.5000000), wk = 0.0029326 k( 262) = ( 0.1757576 0.1757576 0.5000000), wk = 0.0029326 k( 263) = ( 0.1696970 0.1696970 0.5000000), wk = 0.0029326 k( 264) = ( 0.1636364 0.1636364 0.5000000), wk = 0.0029326 k( 265) = ( 0.1575758 0.1575758 0.5000000), wk = 0.0029326 k( 266) = ( 0.1515151 0.1515151 0.5000000), wk = 0.0029326 k( 267) = ( 0.1454545 0.1454545 0.5000000), wk = 0.0029326 k( 268) = ( 0.1393939 0.1393939 0.5000000), wk = 0.0029326 k( 269) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0029326 k( 270) = ( 0.1272727 0.1272727 0.5000000), wk = 0.0029326 k( 271) = ( 0.1212121 0.1212121 0.5000000), wk = 0.0029326 k( 272) = ( 0.1151515 0.1151515 0.5000000), wk = 0.0029326 k( 273) = ( 0.1090909 0.1090909 0.5000000), wk = 0.0029326 k( 274) = ( 0.1030303 0.1030303 0.5000000), wk = 0.0029326 k( 275) = ( 0.0969697 0.0969697 0.5000000), wk = 0.0029326 k( 276) = ( 0.0909091 0.0909091 0.5000000), wk = 0.0029326 k( 277) = ( 0.0848485 0.0848485 0.5000000), wk = 0.0029326 k( 278) = ( 0.0787879 0.0787879 0.5000000), wk = 0.0029326 k( 279) = ( 0.0727273 0.0727273 0.5000000), wk = 0.0029326 k( 280) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0029326 k( 281) = ( 0.0606061 0.0606061 0.5000000), wk = 0.0029326 k( 282) = ( 0.0545455 0.0545455 0.5000000), wk = 0.0029326 k( 283) = ( 0.0484849 0.0484849 0.5000000), wk = 0.0029326 k( 284) = ( 0.0424242 0.0424242 0.5000000), wk = 0.0029326 k( 285) = ( 0.0363636 0.0363636 0.5000000), wk = 0.0029326 k( 286) = ( 0.0303030 0.0303030 0.5000000), wk = 0.0029326 k( 287) = ( 0.0242424 0.0242424 0.5000000), wk = 0.0029326 k( 288) = ( 0.0181818 0.0181818 0.5000000), wk = 0.0029326 k( 289) = ( 0.0121212 0.0121212 0.5000000), wk = 0.0029326 k( 290) = ( 0.0060606 0.0060606 0.5000000), wk = 0.0029326 k( 291) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029326 k( 292) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029326 k( 293) = ( 0.5000000 0.0000000 0.4791667), wk = 0.0029326 k( 294) = ( 0.5000000 0.0000000 0.4583333), wk = 0.0029326 k( 295) = ( 0.5000000 0.0000000 0.4375000), wk = 0.0029326 k( 296) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0029326 k( 297) = ( 0.5000000 0.0000000 0.3958333), wk = 0.0029326 k( 298) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0029326 k( 299) = ( 0.5000000 0.0000000 0.3541667), wk = 0.0029326 k( 300) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0029326 k( 301) = ( 0.5000000 0.0000000 0.3125000), wk = 0.0029326 k( 302) = ( 0.5000000 0.0000000 0.2916667), wk = 0.0029326 k( 303) = ( 0.5000000 0.0000000 0.2708333), wk = 0.0029326 k( 304) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0029326 k( 305) = ( 0.5000000 0.0000000 0.2291667), wk = 0.0029326 k( 306) = ( 0.5000000 0.0000000 0.2083333), wk = 0.0029326 k( 307) = ( 0.5000000 0.0000000 0.1875000), wk = 0.0029326 k( 308) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0029326 k( 309) = ( 0.5000000 0.0000000 0.1458333), wk = 0.0029326 k( 310) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0029326 k( 311) = ( 0.5000000 0.0000000 0.1041667), wk = 0.0029326 k( 312) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0029326 k( 313) = ( 0.5000000 0.0000000 0.0625000), wk = 0.0029326 k( 314) = ( 0.5000000 0.0000000 0.0416667), wk = 0.0029326 k( 315) = ( 0.5000000 0.0000000 0.0208333), wk = 0.0029326 k( 316) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0029326 k( 317) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0029326 k( 318) = ( 0.3333333 0.3333333 0.0208333), wk = 0.0029326 k( 319) = ( 0.3333333 0.3333333 0.0416667), wk = 0.0029326 k( 320) = ( 0.3333333 0.3333333 0.0625000), wk = 0.0029326 k( 321) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0029326 k( 322) = ( 0.3333333 0.3333333 0.1041667), wk = 0.0029326 k( 323) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0029326 k( 324) = ( 0.3333333 0.3333333 0.1458333), wk = 0.0029326 k( 325) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0029326 k( 326) = ( 0.3333333 0.3333333 0.1875000), wk = 0.0029326 k( 327) = ( 0.3333333 0.3333333 0.2083333), wk = 0.0029326 k( 328) = ( 0.3333333 0.3333333 0.2291667), wk = 0.0029326 k( 329) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0029326 k( 330) = ( 0.3333333 0.3333333 0.2708333), wk = 0.0029326 k( 331) = ( 0.3333333 0.3333333 0.2916667), wk = 0.0029326 k( 332) = ( 0.3333333 0.3333333 0.3125000), wk = 0.0029326 k( 333) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0029326 k( 334) = ( 0.3333333 0.3333333 0.3541667), wk = 0.0029326 k( 335) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0029326 k( 336) = ( 0.3333333 0.3333333 0.3958333), wk = 0.0029326 k( 337) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0029326 k( 338) = ( 0.3333333 0.3333333 0.4375000), wk = 0.0029326 k( 339) = ( 0.3333333 0.3333333 0.4583333), wk = 0.0029326 k( 340) = ( 0.3333333 0.3333333 0.4791667), wk = 0.0029326 k( 341) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029326 Dense grid: 259765 G-vectors FFT dimensions: ( 72, 72, 125) Smooth grid: 58885 G-vectors FFT dimensions: ( 45, 45, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.23 Mb ( 426, 36) NL pseudopotentials 0.29 Mb ( 213, 90) Each V/rho on FFT grid 0.32 Mb ( 20736) Each G-vector array 0.06 Mb ( 7213) G-vector shells 0.03 Mb ( 3349) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.94 Mb ( 426, 144) Each subspace H/S matrix 0.02 Mb ( 36, 36) Each matrix 0.10 Mb ( 90, 2, 36) The potential is recalculated from file : ./CaxBeAsx2.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.8 secs Computing kpt #: 2 total cpu time spent up to now is 3.5 secs Computing kpt #: 3 total cpu time spent up to now is 4.2 secs Computing kpt #: 4 total cpu time spent up to now is 4.9 secs Computing kpt #: 5 total cpu time spent up to now is 5.6 secs Computing kpt #: 6 total cpu time spent up to now is 6.3 secs Computing kpt #: 7 total cpu time spent up to now is 7.0 secs Computing kpt #: 8 total cpu time spent up to now is 7.7 secs Computing kpt #: 9 total cpu time spent up to now is 8.4 secs Computing kpt #: 10 total cpu time spent up to now is 9.2 secs Computing kpt #: 11 total cpu time spent up to now is 9.9 secs Computing kpt #: 12 total cpu time spent up to now is 10.7 secs Computing kpt #: 13 total cpu time spent up to now is 11.5 secs Computing kpt #: 14 total cpu time spent up to now is 12.2 secs Computing kpt #: 15 total cpu time spent up to now is 13.0 secs Computing kpt #: 16 total cpu time spent up to now is 13.7 secs Computing kpt #: 17 total cpu time spent up to now is 14.4 secs Computing kpt #: 18 total cpu time spent up to now is 15.1 secs Computing kpt #: 19 total cpu time spent up to now is 15.7 secs Computing kpt #: 20 total cpu time spent up to now is 16.4 secs Computing kpt #: 21 total cpu time spent up to now is 17.1 secs Computing kpt #: 22 total cpu time spent up to now is 17.8 secs Computing kpt #: 23 total cpu time spent up to now is 18.5 secs Computing kpt #: 24 total cpu time spent up to now is 19.3 secs Computing kpt #: 25 total cpu time spent up to now is 20.0 secs Computing kpt #: 26 total cpu time spent up to now is 20.8 secs Computing kpt #: 27 total cpu time spent up to now is 21.6 secs Computing kpt #: 28 total cpu time spent up to now is 22.3 secs Computing kpt #: 29 total cpu time spent up to now is 23.1 secs Computing kpt #: 30 total cpu time spent up to now is 23.8 secs Computing kpt #: 31 total cpu time spent up to now is 24.6 secs Computing kpt #: 32 total cpu time spent up to now is 25.4 secs Computing kpt #: 33 total cpu time spent up to now is 26.0 secs Computing kpt #: 34 total cpu time spent up to now is 26.5 secs Computing kpt #: 35 total cpu time spent up to now is 27.1 secs Computing kpt #: 36 total cpu time spent up to now is 27.7 secs Computing kpt #: 37 total cpu time spent up to now is 28.3 secs Computing kpt #: 38 total cpu time spent up to now is 28.8 secs Computing kpt #: 39 total cpu time spent up to now is 29.5 secs Computing kpt #: 40 total cpu time spent up to now is 30.0 secs Computing kpt #: 41 total cpu time spent up to now is 30.6 secs Computing kpt #: 42 total cpu time spent up to now is 31.2 secs Computing kpt #: 43 total cpu time spent up to now is 31.8 secs Computing kpt #: 44 total cpu time spent up to now is 32.5 secs Computing kpt #: 45 total cpu time spent up to now is 33.1 secs Computing kpt #: 46 total cpu time spent up to now is 33.8 secs Computing kpt #: 47 total cpu time spent up to now is 34.4 secs Computing kpt #: 48 total cpu time spent up to now is 35.1 secs Computing kpt #: 49 total cpu time spent up to now is 35.7 secs Computing kpt #: 50 total cpu time spent up to now is 36.3 secs Computing kpt #: 51 total cpu time spent up to now is 36.9 secs Computing kpt #: 52 total cpu time spent up to now is 37.6 secs Computing kpt #: 53 total cpu time spent up to now is 38.4 secs Computing kpt #: 54 total cpu time spent up to now is 39.2 secs Computing kpt #: 55 total cpu time spent up to now is 40.1 secs Computing kpt #: 56 total cpu time spent up to now is 41.1 secs Computing kpt #: 57 total cpu time spent up to now is 42.3 secs Computing kpt #: 58 total cpu time spent up to now is 43.2 secs Computing kpt #: 59 total cpu time spent up to now is 44.0 secs Computing kpt #: 60 total cpu time spent up to now is 44.8 secs Computing kpt #: 61 total cpu time spent up to now is 45.5 secs Computing kpt #: 62 total cpu time spent up to now is 46.2 secs Computing kpt #: 63 total cpu time spent up to now is 46.8 secs Computing kpt #: 64 total cpu time spent up to now is 47.4 secs Computing kpt #: 65 total cpu time spent up to now is 48.0 secs Computing kpt #: 66 total cpu time spent up to now is 48.7 secs Computing kpt #: 67 total cpu time spent up to now is 49.3 secs Computing kpt #: 68 total cpu time spent up to now is 49.9 secs Computing kpt #: 69 total cpu time spent up to now is 50.5 secs Computing kpt #: 70 total cpu time spent up to now is 51.1 secs Computing kpt #: 71 total cpu time spent up to now is 51.7 secs Computing kpt #: 72 total cpu time spent up to now is 52.4 secs Computing kpt #: 73 total cpu time spent up to now is 53.0 secs Computing kpt #: 74 total cpu time spent up to now is 53.7 secs Computing kpt #: 75 total cpu time spent up to now is 54.4 secs Computing kpt #: 76 total cpu time spent up to now is 55.2 secs Computing kpt #: 77 total cpu time spent up to now is 56.1 secs Computing kpt #: 78 total cpu time spent up to now is 56.9 secs Computing kpt #: 79 total cpu time spent up to now is 57.6 secs Computing kpt #: 80 total cpu time spent up to now is 58.5 secs Computing kpt #: 81 total cpu time spent up to now is 59.4 secs Computing kpt #: 82 total cpu time spent up to now is 60.2 secs Computing kpt #: 83 total cpu time spent up to now is 61.0 secs Computing kpt #: 84 total cpu time spent up to now is 61.7 secs Computing kpt #: 85 total cpu time spent up to now is 62.5 secs Computing kpt #: 86 total cpu time spent up to now is 63.3 secs Computing kpt #: 87 total cpu time spent up to now is 64.2 secs Computing kpt #: 88 total cpu time spent up to now is 65.7 secs Computing kpt #: 89 total cpu time spent up to now is 66.5 secs Computing kpt #: 90 total cpu time spent up to now is 67.3 secs Computing kpt #: 91 total cpu time spent up to now is 68.1 secs Computing kpt #: 92 total cpu time spent up to now is 68.9 secs Computing kpt #: 93 total cpu time spent up to now is 69.6 secs Computing kpt #: 94 total cpu time spent up to now is 70.4 secs Computing kpt #: 95 total cpu time spent up to now is 71.1 secs Computing kpt #: 96 total cpu time spent up to now is 71.8 secs Computing kpt #: 97 total cpu time spent up to now is 72.4 secs Computing kpt #: 98 total cpu time spent up to now is 73.1 secs Computing kpt #: 99 total cpu time spent up to now is 73.9 secs Computing kpt #: 100 total cpu time spent up to now is 74.7 secs Computing kpt #: 101 total cpu time spent up to now is 75.5 secs Computing kpt #: 102 total cpu time spent up to now is 76.2 secs Computing kpt #: 103 total cpu time spent up to now is 76.9 secs Computing kpt #: 104 total cpu time spent up to now is 77.5 secs Computing kpt #: 105 total cpu time spent up to now is 78.1 secs Computing kpt #: 106 total cpu time spent up to now is 78.8 secs Computing kpt #: 107 total cpu time spent up to now is 79.4 secs Computing kpt #: 108 total cpu time spent up to now is 80.0 secs Computing kpt #: 109 total cpu time spent up to now is 80.6 secs Computing kpt #: 110 total cpu time spent up to now is 81.2 secs Computing kpt #: 111 total cpu time spent up to now is 81.8 secs Computing kpt #: 112 total cpu time spent up to now is 82.4 secs Computing kpt #: 113 total cpu time spent up to now is 83.0 secs Computing kpt #: 114 total cpu time spent up to now is 83.6 secs Computing kpt #: 115 total cpu time spent up to now is 84.1 secs Computing kpt #: 116 total cpu time spent up to now is 84.7 secs Computing kpt #: 117 total cpu time spent up to now is 85.3 secs Computing kpt #: 118 total cpu time spent up to now is 86.0 secs Computing kpt #: 119 total cpu time spent up to now is 86.6 secs Computing kpt #: 120 total cpu time spent up to now is 87.3 secs Computing kpt #: 121 total cpu time spent up to now is 88.1 secs Computing kpt #: 122 total cpu time spent up to now is 89.1 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 92.8 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 94.2 secs Computing kpt #: 129 total cpu time spent up to now is 94.9 secs Computing kpt #: 130 total cpu time spent up to now is 95.6 secs Computing kpt #: 131 total cpu time spent up to now is 96.2 secs Computing kpt #: 132 total cpu time spent up to now is 96.9 secs Computing kpt #: 133 total cpu time spent up to now is 97.6 secs Computing kpt #: 134 total cpu time spent up to now is 98.2 secs Computing kpt #: 135 total cpu time spent up to now is 98.9 secs Computing kpt #: 136 total cpu time spent up to now is 101.0 secs Computing kpt #: 137 total cpu time spent up to now is 101.7 secs Computing kpt #: 138 total cpu time spent up to now is 102.4 secs Computing kpt #: 139 total cpu time spent up to now is 103.1 secs Computing kpt #: 140 total cpu time spent up to now is 103.8 secs Computing kpt #: 141 total cpu time spent up to now is 104.5 secs Computing kpt #: 142 total cpu time spent up to now is 105.2 secs Computing kpt #: 143 total cpu time spent up to now is 106.0 secs Computing kpt #: 144 total cpu time spent up to now is 106.6 secs Computing kpt #: 145 total cpu time spent up to now is 107.3 secs Computing kpt #: 146 total cpu time spent up to now is 108.0 secs Computing kpt #: 147 total cpu time spent up to now is 108.6 secs Computing kpt #: 148 total cpu time spent up to now is 109.2 secs Computing kpt #: 149 total cpu time spent up to now is 109.8 secs Computing kpt #: 150 total cpu time spent up to now is 110.4 secs Computing kpt #: 151 total cpu time spent up to now is 111.0 secs Computing kpt #: 152 total cpu time spent up to now is 111.6 secs Computing kpt #: 153 total cpu time spent up to now is 113.4 secs Computing kpt #: 154 total cpu time spent up to now is 114.0 secs Computing kpt #: 155 total cpu time spent up to now is 114.5 secs Computing kpt #: 156 total cpu time spent up to now is 115.1 secs Computing kpt #: 157 total cpu time spent up to now is 115.7 secs Computing kpt #: 158 total cpu time spent up to now is 116.2 secs Computing kpt #: 159 total cpu time spent up to now is 116.8 secs Computing kpt #: 160 total cpu time spent up to now is 117.3 secs Computing kpt #: 161 total cpu time spent up to now is 117.9 secs Computing kpt #: 162 total cpu time spent up to now is 118.5 secs Computing kpt #: 163 total cpu time spent up to now is 119.1 secs Computing kpt #: 164 total cpu time spent up to now is 119.6 secs Computing kpt #: 165 total cpu time spent up to now is 120.2 secs Computing kpt #: 166 total cpu time spent up to now is 120.8 secs Computing kpt #: 167 total cpu time spent up to now is 121.4 secs Computing kpt #: 168 total cpu time spent up to now is 122.1 secs Computing kpt #: 169 total cpu time spent up to now is 122.8 secs Computing kpt #: 170 total cpu time spent up to now is 123.5 secs Computing kpt #: 171 total cpu time spent up to now is 124.3 secs Computing kpt #: 172 total cpu time spent up to now is 125.0 secs Computing kpt #: 173 total cpu time spent up to now is 125.7 secs Computing kpt #: 174 total cpu time spent up to now is 126.4 secs Computing kpt #: 175 total cpu time spent up to now is 127.1 secs Computing kpt #: 176 total cpu time spent up to now is 127.9 secs Computing kpt #: 177 total cpu time spent up to now is 128.6 secs Computing kpt #: 178 total cpu time spent up to now is 129.4 secs Computing kpt #: 179 total cpu time spent up to now is 130.2 secs Computing kpt #: 180 total cpu time spent up to now is 131.0 secs Computing kpt #: 181 total cpu time spent up to now is 131.8 secs Computing kpt #: 182 total cpu time spent up to now is 132.5 secs Computing kpt #: 183 total cpu time spent up to now is 133.5 secs Computing kpt #: 184 total cpu time spent up to now is 134.4 secs Computing kpt #: 185 total cpu time spent up to now is 135.6 secs Computing kpt #: 186 total cpu time spent up to now is 136.4 secs Computing kpt #: 187 total cpu time spent up to now is 137.1 secs Computing kpt #: 188 total cpu time spent up to now is 137.8 secs Computing kpt #: 189 total cpu time spent up to now is 138.6 secs Computing kpt #: 190 total cpu time spent up to now is 139.5 secs Computing kpt #: 191 total cpu time spent up to now is 140.7 secs Computing kpt #: 192 total cpu time spent up to now is 141.4 secs Computing kpt #: 193 total cpu time spent up to now is 142.0 secs Computing kpt #: 194 total cpu time spent up to now is 142.6 secs Computing kpt #: 195 total cpu time spent up to now is 143.2 secs Computing kpt #: 196 total cpu time spent up to now is 143.9 secs Computing kpt #: 197 total cpu time spent up to now is 144.4 secs Computing kpt #: 198 total cpu time spent up to now is 145.1 secs Computing kpt #: 199 total cpu time spent up to now is 145.7 secs Computing kpt #: 200 total cpu time spent up to now is 146.2 secs Computing kpt #: 201 total cpu time spent up to now is 146.6 secs Computing kpt #: 202 total cpu time spent up to now is 147.1 secs Computing kpt #: 203 total cpu time spent up to now is 147.5 secs Computing kpt #: 204 total cpu time spent up to now is 148.1 secs Computing kpt #: 205 total cpu time spent up to now is 148.6 secs Computing kpt #: 206 total cpu time spent up to now is 149.0 secs Computing kpt #: 207 total cpu time spent up to now is 149.4 secs Computing kpt #: 208 total cpu time spent up to now is 150.0 secs Computing kpt #: 209 total cpu time spent up to now is 150.5 secs Computing kpt #: 210 total cpu time spent up to now is 151.0 secs Computing kpt #: 211 total cpu time spent up to now is 151.6 secs Computing kpt #: 212 total cpu time spent up to now is 152.1 secs Computing kpt #: 213 total cpu time spent up to now is 152.7 secs Computing kpt #: 214 total cpu time spent up to now is 153.3 secs Computing kpt #: 215 total cpu time spent up to now is 153.8 secs Computing kpt #: 216 total cpu time spent up to now is 154.4 secs Computing kpt #: 217 total cpu time spent up to now is 155.0 secs Computing kpt #: 218 total cpu time spent up to now is 155.6 secs Computing kpt #: 219 total cpu time spent up to now is 156.3 secs Computing kpt #: 220 total cpu time spent up to now is 156.9 secs Computing kpt #: 221 total cpu time spent up to now is 157.6 secs Computing kpt #: 222 total cpu time spent up to now is 158.4 secs Computing kpt #: 223 total cpu time spent up to now is 159.0 secs Computing kpt #: 224 total cpu time spent up to now is 159.6 secs Computing kpt #: 225 total cpu time spent up to now is 160.2 secs Computing kpt #: 226 total cpu time spent up to now is 160.9 secs Computing kpt #: 227 total cpu time spent up to now is 161.5 secs Computing kpt #: 228 total cpu time spent up to now is 162.1 secs Computing kpt #: 229 total cpu time spent up to now is 162.7 secs Computing kpt #: 230 total cpu time spent up to now is 163.3 secs Computing kpt #: 231 total cpu time spent up to now is 163.9 secs Computing kpt #: 232 total cpu time spent up to now is 164.5 secs Computing kpt #: 233 total cpu time spent up to now is 165.1 secs Computing kpt #: 234 total cpu time spent up to now is 165.6 secs Computing kpt #: 235 total cpu time spent up to now is 166.2 secs Computing kpt #: 236 total cpu time spent up to now is 166.8 secs Computing kpt #: 237 total cpu time spent up to now is 167.3 secs Computing kpt #: 238 total cpu time spent up to now is 167.9 secs Computing kpt #: 239 total cpu time spent up to now is 168.5 secs Computing kpt #: 240 total cpu time spent up to now is 169.2 secs Computing kpt #: 241 total cpu time spent up to now is 169.9 secs Computing kpt #: 242 total cpu time spent up to now is 170.6 secs Computing kpt #: 243 total cpu time spent up to now is 171.3 secs Computing kpt #: 244 total cpu time spent up to now is 172.0 secs Computing kpt #: 245 total cpu time spent up to now is 172.8 secs Computing kpt #: 246 total cpu time spent up to now is 173.6 secs Computing kpt #: 247 total cpu time spent up to now is 174.3 secs Computing kpt #: 248 total cpu time spent up to now is 175.0 secs Computing kpt #: 249 total cpu time spent up to now is 175.7 secs Computing kpt #: 250 total cpu time spent up to now is 176.4 secs Computing kpt #: 251 total cpu time spent up to now is 177.2 secs Computing kpt #: 252 total cpu time spent up to now is 178.0 secs Computing kpt #: 253 total cpu time spent up to now is 178.8 secs Computing kpt #: 254 total cpu time spent up to now is 179.6 secs Computing kpt #: 255 total cpu time spent up to now is 180.4 secs Computing kpt #: 256 total cpu time spent up to now is 181.3 secs Computing kpt #: 257 total cpu time spent up to now is 182.3 secs Computing kpt #: 258 total cpu time spent up to now is 183.3 secs Computing kpt #: 259 total cpu time spent up to now is 184.1 secs Computing kpt #: 260 total cpu time spent up to now is 184.9 secs Computing kpt #: 261 total cpu time spent up to now is 185.7 secs Computing kpt #: 262 total cpu time spent up to now is 186.5 secs Computing kpt #: 263 total cpu time spent up to now is 187.3 secs Computing kpt #: 264 total cpu time spent up to now is 188.1 secs Computing kpt #: 265 total cpu time spent up to now is 189.0 secs Computing kpt #: 266 total cpu time spent up to now is 189.8 secs Computing kpt #: 267 total cpu time spent up to now is 190.6 secs Computing kpt #: 268 total cpu time spent up to now is 191.4 secs Computing kpt #: 269 total cpu time spent up to now is 192.1 secs Computing kpt #: 270 total cpu time spent up to now is 192.8 secs Computing kpt #: 271 total cpu time spent up to now is 193.5 secs Computing kpt #: 272 total cpu time spent up to now is 194.1 secs Computing kpt #: 273 total cpu time spent up to now is 194.7 secs Computing kpt #: 274 total cpu time spent up to now is 195.3 secs Computing kpt #: 275 total cpu time spent up to now is 196.0 secs Computing kpt #: 276 total cpu time spent up to now is 196.7 secs Computing kpt #: 277 total cpu time spent up to now is 197.4 secs Computing kpt #: 278 total cpu time spent up to now is 198.1 secs Computing kpt #: 279 total cpu time spent up to now is 198.8 secs Computing kpt #: 280 total cpu time spent up to now is 199.6 secs Computing kpt #: 281 total cpu time spent up to now is 200.3 secs Computing kpt #: 282 total cpu time spent up to now is 200.9 secs Computing kpt #: 283 total cpu time spent up to now is 201.6 secs Computing kpt #: 284 total cpu time spent up to now is 202.1 secs Computing kpt #: 285 total cpu time spent up to now is 202.7 secs Computing kpt #: 286 total cpu time spent up to now is 203.3 secs Computing kpt #: 287 total cpu time spent up to now is 203.9 secs Computing kpt #: 288 total cpu time spent up to now is 204.5 secs Computing kpt #: 289 total cpu time spent up to now is 205.0 secs Computing kpt #: 290 total cpu time spent up to now is 205.6 secs Computing kpt #: 291 total cpu time spent up to now is 206.2 secs Computing kpt #: 292 total cpu time spent up to now is 206.6 secs Computing kpt #: 293 total cpu time spent up to now is 207.0 secs Computing kpt #: 294 total cpu time spent up to now is 207.5 secs Computing kpt #: 295 total cpu time spent up to now is 208.1 secs Computing kpt #: 296 total cpu time spent up to now is 208.6 secs Computing kpt #: 297 total cpu time spent up to now is 209.2 secs Computing kpt #: 298 total cpu time spent up to now is 209.8 secs Computing kpt #: 299 total cpu time spent up to now is 210.5 secs Computing kpt #: 300 total cpu time spent up to now is 211.9 secs Computing kpt #: 301 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 213.2 secs Computing kpt #: 302 total cpu time spent up to now is 214.0 secs Computing kpt #: 303 total cpu time spent up to now is 214.9 secs Computing kpt #: 304 total cpu time spent up to now is 215.8 secs Computing kpt #: 305 total cpu time spent up to now is 217.1 secs Computing kpt #: 306 total cpu time spent up to now is 218.1 secs Computing kpt #: 307 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 219.5 secs Computing kpt #: 308 total cpu time spent up to now is 220.5 secs Computing kpt #: 309 total cpu time spent up to now is 221.2 secs Computing kpt #: 310 total cpu time spent up to now is 221.9 secs Computing kpt #: 311 total cpu time spent up to now is 222.6 secs Computing kpt #: 312 total cpu time spent up to now is 223.2 secs Computing kpt #: 313 total cpu time spent up to now is 223.8 secs Computing kpt #: 314 total cpu time spent up to now is 224.4 secs Computing kpt #: 315 total cpu time spent up to now is 225.1 secs Computing kpt #: 316 total cpu time spent up to now is 225.7 secs Computing kpt #: 317 total cpu time spent up to now is 226.6 secs Computing kpt #: 318 total cpu time spent up to now is 227.5 secs Computing kpt #: 319 total cpu time spent up to now is 228.5 secs Computing kpt #: 320 total cpu time spent up to now is 229.2 secs Computing kpt #: 321 total cpu time spent up to now is 229.8 secs Computing kpt #: 322 total cpu time spent up to now is 230.6 secs Computing kpt #: 323 total cpu time spent up to now is 231.4 secs Computing kpt #: 324 total cpu time spent up to now is 232.0 secs Computing kpt #: 325 total cpu time spent up to now is 232.7 secs Computing kpt #: 326 total cpu time spent up to now is 233.3 secs Computing kpt #: 327 total cpu time spent up to now is 234.0 secs Computing kpt #: 328 total cpu time spent up to now is 234.7 secs Computing kpt #: 329 total cpu time spent up to now is 235.4 secs Computing kpt #: 330 total cpu time spent up to now is 236.1 secs Computing kpt #: 331 total cpu time spent up to now is 236.8 secs Computing kpt #: 332 total cpu time spent up to now is 237.5 secs Computing kpt #: 333 total cpu time spent up to now is 238.1 secs Computing kpt #: 334 total cpu time spent up to now is 238.8 secs Computing kpt #: 335 total cpu time spent up to now is 239.5 secs Computing kpt #: 336 total cpu time spent up to now is 240.2 secs Computing kpt #: 337 total cpu time spent up to now is 240.9 secs Computing kpt #: 338 total cpu time spent up to now is 241.5 secs Computing kpt #: 339 total cpu time spent up to now is 242.1 secs Computing kpt #: 340 total cpu time spent up to now is 242.7 secs Computing kpt #: 341 total cpu time spent up to now is 243.3 secs ethr = 3.57E-08, avg # of iterations = 35.9 total cpu time spent up to now is 243.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7357 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3594 -33.3594 -14.6557 -14.6557 -14.3035 -14.3035 -14.2357 -14.2357 -4.8029 -4.8029 -3.4067 -3.4067 1.8010 1.8010 5.7966 5.7966 5.9431 5.9431 7.0998 7.0998 7.4644 7.4644 7.5993 7.5993 8.8612 8.8612 9.7120 9.7120 9.9692 9.9692 9.9769 9.9769 k = 0.0106 0.0061-0.0000 ( 7361 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3593 -33.3593 -14.6557 -14.6557 -14.3035 -14.3035 -14.2358 -14.2358 -4.8018 -4.8018 -3.4062 -3.4062 1.8024 1.8024 5.7919 5.7919 5.9382 5.9382 7.0961 7.0961 7.4568 7.4568 7.5901 7.5901 8.8625 8.8625 9.7189 9.7189 9.9748 9.9748 9.9825 9.9825 k = 0.0213 0.0123-0.0000 ( 7367 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3593 -33.3593 -14.6558 -14.6558 -14.3036 -14.3036 -14.2361 -14.2361 -4.7986 -4.7986 -3.4046 -3.4046 1.8065 1.8065 5.7770 5.7770 5.9244 5.9244 7.0848 7.0848 7.4330 7.4330 7.5648 7.5648 8.8665 8.8665 9.7389 9.7389 9.9897 9.9897 9.9998 9.9998 k = 0.0319 0.0184-0.0000 ( 7371 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3592 -33.3592 -14.6560 -14.6560 -14.3037 -14.3037 -14.2367 -14.2367 -4.7932 -4.7932 -3.4019 -3.4019 1.8134 1.8134 5.7503 5.7503 5.9041 5.9041 7.0649 7.0649 7.3907 7.3907 7.5296 7.5296 8.8729 8.8729 9.7710 9.7710 10.0118 10.0118 10.0276 10.0276 k = 0.0426 0.0246-0.0000 ( 7379 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3591 -33.3591 -14.6562 -14.6562 -14.3039 -14.3039 -14.2375 -14.2375 -4.7857 -4.7857 -3.3983 -3.3983 1.8230 1.8230 5.7097 5.7097 5.8804 5.8804 7.0344 7.0344 7.3306 7.3306 7.4902 7.4902 8.8816 8.8816 9.8127 9.8127 10.0408 10.0408 10.0624 10.0624 k = 0.0532 0.0307-0.0000 ( 7375 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3590 -33.3590 -14.6565 -14.6565 -14.3042 -14.3042 -14.2385 -14.2385 -4.7760 -4.7760 -3.3936 -3.3936 1.8354 1.8354 5.6543 5.6543 5.8555 5.8555 6.9894 6.9894 7.2589 7.2589 7.4488 7.4488 8.8923 8.8923 9.8609 9.8609 10.0757 10.0757 10.1013 10.1013 k = 0.0638 0.0369-0.0000 ( 7379 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3589 -33.3589 -14.6569 -14.6569 -14.3045 -14.3045 -14.2397 -14.2397 -4.7642 -4.7642 -3.3878 -3.3878 1.8504 1.8504 5.5849 5.5849 5.8301 5.8301 6.9244 6.9244 7.1862 7.1862 7.4052 7.4052 8.9049 8.9049 9.9106 9.9106 10.1152 10.1152 10.1426 10.1426 k = 0.0745 0.0430-0.0000 ( 7375 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3587 -33.3587 -14.6573 -14.6573 -14.3048 -14.3048 -14.2411 -14.2411 -4.7504 -4.7504 -3.3811 -3.3811 1.8682 1.8682 5.5035 5.5035 5.8039 5.8039 6.8357 6.8357 7.1206 7.1206 7.3587 7.3587 8.9190 8.9190 9.9556 9.9556 10.1575 10.1575 10.1856 10.1856 k = 0.0851 0.0491-0.0000 ( 7379 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3585 -33.3585 -14.6579 -14.6579 -14.3053 -14.3053 -14.2427 -14.2427 -4.7344 -4.7344 -3.3734 -3.3734 1.8886 1.8886 5.4118 5.4118 5.7764 5.7764 6.7258 6.7258 7.0636 7.0636 7.3094 7.3094 8.9344 8.9344 9.9886 9.9886 10.2013 10.2013 10.2299 10.2299 k = 0.0957 0.0553-0.0000 ( 7378 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3583 -33.3583 -14.6584 -14.6584 -14.3058 -14.3058 -14.2444 -14.2444 -4.7164 -4.7164 -3.3648 -3.3648 1.9116 1.9116 5.3117 5.3117 5.7475 5.7475 6.6008 6.6008 7.0117 7.0117 7.2576 7.2576 8.9506 8.9506 10.0040 10.0040 10.2448 10.2448 10.2753 10.2753 k = 0.1064 0.0614-0.0000 ( 7372 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3580 -33.3580 -14.6591 -14.6591 -14.3063 -14.3063 -14.2463 -14.2463 -4.6964 -4.6964 -3.3553 -3.3553 1.9373 1.9373 5.2047 5.2047 5.7169 5.7169 6.4663 6.4663 6.9619 6.9619 7.2035 7.2035 8.9672 8.9672 10.0012 10.0012 10.2871 10.2871 10.3215 10.3215 k = 0.1170 0.0676-0.0000 ( 7376 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3577 -33.3577 -14.6598 -14.6598 -14.3070 -14.3070 -14.2483 -14.2483 -4.6744 -4.6744 -3.3449 -3.3449 1.9655 1.9655 5.0920 5.0920 5.6846 5.6846 6.3259 6.3259 6.9122 6.9122 7.1475 7.1475 8.9834 8.9834 9.9840 9.9840 10.3273 10.3273 10.3684 10.3684 k = 0.1277 0.0737-0.0000 ( 7378 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3574 -33.3574 -14.6607 -14.6607 -14.3077 -14.3077 -14.2504 -14.2504 -4.6504 -4.6504 -3.3336 -3.3336 1.9962 1.9962 4.9747 4.9747 5.6507 5.6507 6.1823 6.1823 6.8617 6.8617 7.0902 7.0902 8.9985 8.9985 9.9581 9.9581 10.3652 10.3652 10.4157 10.4157 k = 0.1383 0.0798-0.0000 ( 7388 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3571 -33.3571 -14.6616 -14.6616 -14.3085 -14.3085 -14.2526 -14.2526 -4.6245 -4.6245 -3.3216 -3.3216 2.0294 2.0294 4.8538 4.8538 5.6152 5.6152 6.0371 6.0371 6.8100 6.8100 7.0318 7.0318 9.0115 9.0115 9.9287 9.9287 10.4012 10.4012 10.4628 10.4628 k = 0.1489 0.0860-0.0000 ( 7388 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3568 -33.3568 -14.6625 -14.6625 -14.3094 -14.3094 -14.2548 -14.2548 -4.5967 -4.5967 -3.3088 -3.3088 2.0650 2.0650 4.7301 4.7301 5.5779 5.5779 5.8919 5.8919 6.7569 6.7569 6.9726 6.9726 9.0211 9.0211 9.9003 9.9003 10.4360 10.4360 10.5094 10.5094 k = 0.1596 0.0921-0.0000 ( 7392 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3565 -33.3565 -14.6636 -14.6636 -14.3104 -14.3104 -14.2571 -14.2571 -4.5671 -4.5671 -3.2953 -3.2953 2.1029 2.1029 4.6043 4.6043 5.5383 5.5383 5.7483 5.7483 6.7025 6.7025 6.9130 6.9130 9.0261 9.0261 9.8761 9.8761 10.4703 10.4703 10.5546 10.5546 k = 0.1702 0.0983-0.0000 ( 7386 PWs) bands (ev): -93.6985 -93.6985 -93.6981 -93.6981 -33.3561 -33.3561 -14.6647 -14.6647 -14.3114 -14.3114 -14.2594 -14.2594 -4.5357 -4.5357 -3.2812 -3.2812 2.1432 2.1432 4.4769 4.4769 5.4931 5.4931 5.6105 5.6105 6.6468 6.6468 6.8531 6.8531 9.0255 9.0255 9.8588 9.8588 10.5049 10.5049 10.5974 10.5974 k = 0.1809 0.1044-0.0000 ( 7386 PWs) bands (ev): -93.6985 -93.6985 -93.6981 -93.6981 -33.3557 -33.3557 -14.6659 -14.6659 -14.3126 -14.3126 -14.2616 -14.2616 -4.5025 -4.5025 -3.2666 -3.2666 2.1857 2.1857 4.3486 4.3486 5.4202 5.4202 5.5012 5.5012 6.5899 6.5899 6.7932 6.7932 9.0182 9.0182 9.8502 9.8502 10.5403 10.5403 10.6369 10.6369 k = 0.1915 0.1106-0.0000 ( 7388 PWs) bands (ev): -93.6985 -93.6985 -93.6981 -93.6981 -33.3553 -33.3553 -14.6672 -14.6672 -14.3139 -14.3139 -14.2638 -14.2638 -4.4678 -4.4678 -3.2514 -3.2514 2.2303 2.2303 4.2198 4.2198 5.2981 5.2981 5.4429 5.4429 6.5321 6.5321 6.7335 6.7335 9.0040 9.0040 9.8512 9.8512 10.5770 10.5770 10.6720 10.6720 k = 0.2021 0.1167-0.0000 ( 7384 PWs) bands (ev): -93.6985 -93.6985 -93.6981 -93.6981 -33.3549 -33.3549 -14.6685 -14.6685 -14.3153 -14.3153 -14.2659 -14.2659 -4.4314 -4.4314 -3.2359 -3.2359 2.2769 2.2769 4.0910 4.0910 5.1636 5.1636 5.3990 5.3990 6.4732 6.4732 6.6742 6.6742 8.9831 8.9831 9.8621 9.8621 10.6154 10.6154 10.7017 10.7017 k = 0.2128 0.1228-0.0000 ( 7394 PWs) bands (ev): -93.6985 -93.6985 -93.6981 -93.6981 -33.3545 -33.3545 -14.6700 -14.6700 -14.3168 -14.3168 -14.2680 -14.2680 -4.3935 -4.3935 -3.2200 -3.2200 2.3255 2.3255 3.9627 3.9627 5.0289 5.0289 5.3580 5.3580 6.4134 6.4134 6.6156 6.6156 8.9564 8.9564 9.8824 9.8824 10.6557 10.6557 10.7256 10.7256 k = 0.2234 0.1290-0.0000 ( 7390 PWs) bands (ev): -93.6985 -93.6985 -93.6981 -93.6981 -33.3541 -33.3541 -14.6714 -14.6714 -14.3184 -14.3184 -14.2699 -14.2699 -4.3541 -4.3541 -3.2040 -3.2040 2.3759 2.3759 3.8352 3.8352 4.8964 4.8964 5.3181 5.3181 6.3528 6.3528 6.5578 6.5578 8.9248 8.9248 9.9110 9.9110 10.6978 10.6978 10.7438 10.7438 k = 0.2340 0.1351-0.0000 ( 7386 PWs) bands (ev): -93.6985 -93.6985 -93.6981 -93.6981 -33.3537 -33.3537 -14.6730 -14.6730 -14.3202 -14.3202 -14.2717 -14.2717 -4.3134 -4.3134 -3.1878 -3.1878 2.4280 2.4280 3.7089 3.7089 4.7668 4.7668 5.2788 5.2788 6.2913 6.2913 6.5011 6.5011 8.8897 8.8897 9.9469 9.9469 10.7410 10.7410 10.7580 10.7580 k = 0.2447 0.1413-0.0000 ( 7386 PWs) bands (ev): -93.6985 -93.6985 -93.6981 -93.6981 -33.3533 -33.3533 -14.6746 -14.6746 -14.3220 -14.3220 -14.2734 -14.2734 -4.2713 -4.2713 -3.1716 -3.1716 2.4816 2.4816 3.5842 3.5842 4.6405 4.6405 5.2403 5.2403 6.2289 6.2289 6.4456 6.4456 8.8522 8.8522 9.9887 9.9887 10.7636 10.7636 10.7908 10.7908 k = 0.2553 0.1474-0.0000 ( 7386 PWs) bands (ev): -93.6985 -93.6985 -93.6981 -93.6981 -33.3529 -33.3529 -14.6762 -14.6762 -14.3239 -14.3239 -14.2749 -14.2749 -4.2281 -4.2281 -3.1554 -3.1554 2.5365 2.5365 3.4615 3.4615 4.5180 4.5180 5.2024 5.2024 6.1656 6.1656 6.3917 6.3917 8.8132 8.8132 10.0352 10.0352 10.7702 10.7702 10.8389 10.8389 k = 0.2660 0.1536-0.0000 ( 7390 PWs) bands (ev): -93.6985 -93.6985 -93.6981 -93.6981 -33.3524 -33.3524 -14.6779 -14.6779 -14.3260 -14.3260 -14.2763 -14.2763 -4.1839 -4.1839 -3.1396 -3.1396 2.5924 2.5924 3.3411 3.3411 4.3996 4.3996 5.1654 5.1654 6.1014 6.1014 6.3395 6.3395 8.7736 8.7736 10.0852 10.0852 10.7748 10.7748 10.8896 10.8896 k = 0.2766 0.1597-0.0000 ( 7384 PWs) bands (ev): -93.6985 -93.6985 -93.6981 -93.6981 -33.3520 -33.3520 -14.6797 -14.6797 -14.3280 -14.3280 -14.2775 -14.2775 -4.1386 -4.1386 -3.1240 -3.1240 2.6488 2.6488 3.2237 3.2237 4.2856 4.2856 5.1294 5.1294 6.0364 6.0364 6.2892 6.2892 8.7340 8.7340 10.1374 10.1374 10.7791 10.7791 10.9426 10.9426 k = 0.2872 0.1658-0.0000 ( 7378 PWs) bands (ev): -93.6985 -93.6985 -93.6981 -93.6981 -33.3516 -33.3516 -14.6814 -14.6814 -14.3301 -14.3301 -14.2786 -14.2786 -4.0925 -4.0925 -3.1090 -3.1090 2.7049 2.7049 3.1099 3.1099 4.1765 4.1765 5.0943 5.0943 5.9705 5.9705 6.2408 6.2408 8.6949 8.6949 10.1905 10.1905 10.7845 10.7845 10.9976 10.9976 k = 0.2979 0.1720-0.0000 ( 7384 PWs) bands (ev): -93.6985 -93.6985 -93.6981 -93.6981 -33.3512 -33.3512 -14.6832 -14.6832 -14.3323 -14.3323 -14.2796 -14.2796 -4.0457 -4.0457 -3.0946 -3.0946 2.7587 2.7587 3.0018 3.0018 4.0728 4.0728 5.0604 5.0604 5.9038 5.9038 6.1945 6.1945 8.6567 8.6567 10.2428 10.2428 10.7923 10.7923 11.0545 11.0545 k = 0.3085 0.1781-0.0000 ( 7384 PWs) bands (ev): -93.6985 -93.6985 -93.6982 -93.6982 -33.3508 -33.3508 -14.6850 -14.6850 -14.3344 -14.3344 -14.2805 -14.2805 -3.9983 -3.9983 -3.0810 -3.0810 2.7975 2.7975 2.9116 2.9116 3.9750 3.9750 5.0277 5.0277 5.8363 5.8363 6.1504 6.1504 8.6198 8.6198 10.2925 10.2925 10.8040 10.8040 11.1133 11.1133 k = 0.3191 0.1843-0.0000 ( 7388 PWs) bands (ev): -93.6985 -93.6985 -93.6982 -93.6982 -33.3504 -33.3504 -14.6867 -14.6867 -14.3365 -14.3365 -14.2813 -14.2813 -3.9504 -3.9504 -3.0683 -3.0683 2.7567 2.7567 2.9034 2.9034 3.8842 3.8842 4.9963 4.9963 5.7682 5.7682 6.1085 6.1085 8.5844 8.5844 10.3378 10.3378 10.8206 10.8206 11.1734 11.1735 k = 0.3298 0.1904-0.0000 ( 7384 PWs) bands (ev): -93.6985 -93.6985 -93.6982 -93.6982 -33.3500 -33.3500 -14.6885 -14.6885 -14.3386 -14.3386 -14.2819 -14.2819 -3.9023 -3.9023 -3.0567 -3.0567 2.6658 2.6658 2.9467 2.9467 3.8015 3.8015 4.9663 4.9663 5.6995 5.6995 6.0689 6.0689 8.5505 8.5505 10.3768 10.3768 10.8429 10.8429 11.2006 11.2006 k = 0.3404 0.1965-0.0000 ( 7380 PWs) bands (ev): -93.6985 -93.6985 -93.6982 -93.6982 -33.3497 -33.3497 -14.6902 -14.6902 -14.3406 -14.3406 -14.2825 -14.2825 -3.8541 -3.8541 -3.0464 -3.0464 2.5718 2.5718 2.9929 2.9929 3.7290 3.7290 4.9378 4.9378 5.6304 5.6304 6.0316 6.0316 8.5185 8.5185 10.4081 10.4081 10.8696 10.8696 11.1853 11.1853 k = 0.3511 0.2027-0.0000 ( 7380 PWs) bands (ev): -93.6985 -93.6985 -93.6982 -93.6982 -33.3493 -33.3493 -14.6919 -14.6919 -14.3426 -14.3426 -14.2830 -14.2830 -3.8059 -3.8059 -3.0375 -3.0375 2.4808 2.4808 3.0334 3.0334 3.6695 3.6695 4.9108 4.9108 5.5610 5.5610 5.9967 5.9967 8.4883 8.4883 10.4313 10.4313 10.8971 10.8971 11.1745 11.1745 k = 0.3617 0.2088-0.0000 ( 7384 PWs) bands (ev): -93.6985 -93.6985 -93.6982 -93.6982 -33.3490 -33.3490 -14.6935 -14.6935 -14.3445 -14.3445 -14.2834 -14.2834 -3.7581 -3.7581 -3.0302 -3.0302 2.3939 2.3939 3.0632 3.0632 3.6268 3.6268 4.8855 4.8855 5.4914 5.4914 5.9640 5.9640 8.4601 8.4601 10.4470 10.4470 10.9182 10.9182 11.1762 11.1762 k = 0.3723 0.2150-0.0000 ( 7378 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3487 -33.3487 -14.6951 -14.6951 -14.3463 -14.3463 -14.2838 -14.2838 -3.7107 -3.7107 -3.0245 -3.0245 2.3119 2.3119 3.0781 3.0781 3.6047 3.6047 4.8618 4.8618 5.4218 5.4218 5.9338 5.9338 8.4338 8.4338 10.4563 10.4563 10.9256 10.9256 11.1974 11.1974 k = 0.3830 0.2211-0.0000 ( 7378 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3484 -33.3484 -14.6966 -14.6966 -14.3479 -14.3479 -14.2841 -14.2841 -3.6641 -3.6641 -3.0207 -3.0207 2.2352 2.2352 3.0762 3.0762 3.6051 3.6051 4.8398 4.8398 5.3525 5.3525 5.9059 5.9059 8.4096 8.4096 10.4604 10.4604 10.9187 10.9187 11.2383 11.2383 k = 0.3936 0.2273-0.0000 ( 7374 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3481 -33.3481 -14.6980 -14.6980 -14.3495 -14.3495 -14.2843 -14.2843 -3.6185 -3.6185 -3.0188 -3.0188 2.1640 2.1640 3.0597 3.0597 3.6254 3.6254 4.8196 4.8196 5.2837 5.2837 5.8804 5.8804 8.3875 8.3875 10.4604 10.4604 10.9025 10.9025 11.2928 11.2928 k = 0.4043 0.2334-0.0000 ( 7368 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3479 -33.3479 -14.6993 -14.6993 -14.3509 -14.3509 -14.2846 -14.2846 -3.5741 -3.5741 -3.0188 -3.0188 2.0987 2.0987 3.0333 3.0333 3.6605 3.6605 4.8013 4.8013 5.2157 5.2157 5.8573 5.8573 8.3674 8.3674 10.4572 10.4572 10.8825 10.8825 11.3546 11.3546 k = 0.4149 0.2395-0.0000 ( 7376 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3476 -33.3476 -14.7005 -14.7005 -14.3522 -14.3522 -14.2847 -14.2847 -3.5315 -3.5315 -3.0208 -3.0208 2.0395 2.0395 3.0022 3.0022 3.7051 3.7051 4.7848 4.7848 5.1490 5.1490 5.8366 5.8366 8.3494 8.3494 10.4518 10.4518 10.8619 10.8619 11.4191 11.4191 k = 0.4255 0.2457-0.0000 ( 7360 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3474 -33.3474 -14.7016 -14.7016 -14.3534 -14.3534 -14.2849 -14.2849 -3.4908 -3.4908 -3.0247 -3.0247 1.9867 1.9867 2.9700 2.9700 3.7548 3.7548 4.7702 4.7702 5.0841 5.0841 5.8183 5.8183 8.3336 8.3336 10.4448 10.4448 10.8426 10.8426 11.4826 11.4826 k = 0.4362 0.2518-0.0000 ( 7356 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3472 -33.3472 -14.7025 -14.7025 -14.3544 -14.3544 -14.2850 -14.2850 -3.4526 -3.4526 -3.0304 -3.0304 1.9405 1.9405 2.9393 2.9393 3.8065 3.8065 4.7575 4.7575 5.0220 5.0220 5.8024 5.8024 8.3198 8.3198 10.4369 10.4369 10.8256 10.8256 11.5423 11.5423 k = 0.4468 0.2580-0.0000 ( 7354 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3471 -33.3471 -14.7034 -14.7034 -14.3553 -14.3553 -14.2851 -14.2851 -3.4174 -3.4174 -3.0375 -3.0375 1.9010 1.9010 2.9115 2.9115 3.8575 3.8575 4.7469 4.7469 4.9637 4.9637 5.7890 5.7890 8.3081 8.3081 10.4288 10.4288 10.8113 10.8113 11.5955 11.5955 k = 0.4574 0.2641-0.0000 ( 7350 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3470 -33.3470 -14.7040 -14.7040 -14.3560 -14.3560 -14.2852 -14.2852 -3.3860 -3.3860 -3.0456 -3.0456 1.8685 1.8685 2.8879 2.8879 3.9052 3.9052 4.7384 4.7384 4.9106 4.9106 5.7780 5.7780 8.2986 8.2986 10.4213 10.4213 10.7997 10.7997 11.6402 11.6402 k = 0.4681 0.2702-0.0000 ( 7358 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3469 -33.3469 -14.7046 -14.7046 -14.3566 -14.3566 -14.2852 -14.2852 -3.3594 -3.3594 -3.0538 -3.0538 1.8431 1.8431 2.8689 2.8689 3.9472 3.9472 4.7320 4.7320 4.8647 4.8647 5.7695 5.7695 8.2912 8.2912 10.4147 10.4147 10.7910 10.7910 11.6750 11.6750 k = 0.4787 0.2764-0.0000 ( 7364 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3468 -33.3468 -14.7050 -14.7050 -14.3570 -14.3570 -14.2852 -14.2852 -3.3388 -3.3388 -3.0612 -3.0612 1.8248 1.8248 2.8551 2.8551 3.9804 3.9804 4.7278 4.7278 4.8286 4.8286 5.7633 5.7633 8.2859 8.2859 10.4097 10.4097 10.7848 10.7848 11.6994 11.6994 k = 0.4894 0.2825-0.0000 ( 7364 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3468 -33.3468 -14.7052 -14.7052 -14.3572 -14.3572 -14.2853 -14.2853 -3.3256 -3.3256 -3.0664 -3.0664 1.8138 1.8138 2.8467 2.8467 4.0019 4.0019 4.7256 4.7256 4.8051 4.8051 5.7597 5.7597 8.2827 8.2827 10.4065 10.4065 10.7812 10.7812 11.7138 11.7138 k = 0.5000 0.2887-0.0000 ( 7356 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3467 -33.3467 -14.7053 -14.7053 -14.3573 -14.3573 -14.2853 -14.2853 -3.3210 -3.3210 -3.0683 -3.0683 1.8102 1.8102 2.8438 2.8438 4.0094 4.0094 4.7250 4.7250 4.7968 4.7968 5.7584 5.7584 8.2816 8.2816 10.4054 10.4054 10.7800 10.7800 11.7185 11.7185 k = 0.5000 0.2887-0.0000 ( 7356 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3467 -33.3467 -14.7053 -14.7053 -14.3573 -14.3573 -14.2853 -14.2853 -3.3210 -3.3210 -3.0683 -3.0683 1.8102 1.8102 2.8438 2.8438 4.0094 4.0094 4.7250 4.7250 4.7968 4.7968 5.7584 5.7584 8.2816 8.2816 10.4054 10.4054 10.7800 10.7800 11.7185 11.7185 k = 0.4940 0.2990-0.0000 ( 7356 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3467 -33.3467 -14.7053 -14.7053 -14.3573 -14.3573 -14.2854 -14.2854 -3.3205 -3.3205 -3.0680 -3.0680 1.8113 1.8113 2.8439 2.8439 4.0101 4.0101 4.7162 4.7162 4.7982 4.7982 5.7541 5.7541 8.2914 8.2914 10.4058 10.4058 10.7861 10.7861 11.7211 11.7211 k = 0.4881 0.3093-0.0000 ( 7360 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3467 -33.3467 -14.7052 -14.7052 -14.3572 -14.3572 -14.2856 -14.2856 -3.3190 -3.3190 -3.0670 -3.0670 1.8146 1.8146 2.8439 2.8439 4.0122 4.0122 4.6911 4.6911 4.8013 4.8013 5.7411 5.7411 8.3202 8.3202 10.4069 10.4069 10.8040 10.8040 11.7289 11.7289 k = 0.4821 0.3196-0.0000 ( 7346 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3467 -33.3467 -14.7052 -14.7052 -14.3571 -14.3571 -14.2860 -14.2860 -3.3166 -3.3166 -3.0653 -3.0653 1.8201 1.8201 2.8439 2.8439 4.0157 4.0157 4.6519 4.6519 4.8048 4.8048 5.7199 5.7199 8.3672 8.3672 10.4087 10.4087 10.8333 10.8333 11.7418 11.7418 k = 0.4762 0.3299-0.0000 ( 7338 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3467 -33.3467 -14.7052 -14.7052 -14.3569 -14.3569 -14.2866 -14.2866 -3.3131 -3.3131 -3.0630 -3.0630 1.8279 1.8279 2.8440 2.8440 4.0205 4.0205 4.6001 4.6001 4.8084 4.8084 5.6908 5.6908 8.4312 8.4312 10.4111 10.4111 10.8727 10.8727 11.7595 11.7595 k = 0.4702 0.3402-0.0000 ( 7354 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3466 -33.3466 -14.7051 -14.7051 -14.3567 -14.3567 -14.2874 -14.2874 -3.3087 -3.3087 -3.0602 -3.0602 1.8378 1.8378 2.8439 2.8439 4.0267 4.0267 4.5374 4.5374 4.8119 4.8119 5.6545 5.6545 8.5103 8.5103 10.4141 10.4141 10.9206 10.9206 11.7813 11.7813 k = 0.4643 0.3505-0.0000 ( 7346 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3466 -33.3466 -14.7051 -14.7051 -14.3564 -14.3564 -14.2883 -14.2883 -3.3034 -3.3034 -3.0567 -3.0567 1.8499 1.8499 2.8438 2.8438 4.0340 4.0340 4.4654 4.4654 4.8155 4.8155 5.6119 5.6119 8.6029 8.6029 10.4176 10.4176 10.9747 10.9747 11.8052 11.8052 k = 0.4583 0.3608-0.0000 ( 7336 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3465 -33.3465 -14.7050 -14.7050 -14.3561 -14.3561 -14.2893 -14.2893 -3.2971 -3.2971 -3.0527 -3.0527 1.8643 1.8643 2.8434 2.8434 4.0422 4.0422 4.3861 4.3861 4.8192 4.8192 5.5637 5.5637 8.7069 8.7069 10.4214 10.4214 11.0319 11.0319 11.8249 11.8249 k = 0.4524 0.3712-0.0000 ( 7326 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3465 -33.3465 -14.7049 -14.7049 -14.3558 -14.3558 -14.2905 -14.2905 -3.2900 -3.2900 -3.0483 -3.0483 1.8808 1.8808 2.8428 2.8428 4.0505 4.0505 4.3016 4.3016 4.8229 4.8229 5.5109 5.5109 8.8206 8.8206 10.4252 10.4252 11.0885 11.0885 11.8192 11.8192 k = 0.4464 0.3815-0.0000 ( 7338 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3464 -33.3464 -14.7049 -14.7049 -14.3554 -14.3554 -14.2918 -14.2918 -3.2819 -3.2819 -3.0436 -3.0436 1.8994 1.8994 2.8419 2.8419 4.0563 4.0563 4.2163 4.2163 4.8264 4.8264 5.4543 5.4543 8.9421 8.9421 10.4290 10.4290 11.1399 11.1399 11.7623 11.7623 k = 0.4405 0.3918-0.0000 ( 7334 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3463 -33.3463 -14.7048 -14.7048 -14.3550 -14.3550 -14.2931 -14.2931 -3.2731 -3.2731 -3.0385 -3.0385 1.9203 1.9203 2.8406 2.8406 4.0454 4.0454 4.1455 4.1455 4.8297 4.8297 5.3950 5.3950 9.0700 9.0700 10.4322 10.4322 11.1817 11.1817 11.6749 11.6749 k = 0.4345 0.4021-0.0000 ( 7338 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3463 -33.3463 -14.7047 -14.7047 -14.3546 -14.3546 -14.2946 -14.2946 -3.2634 -3.2634 -3.0332 -3.0332 1.9432 1.9432 2.8387 2.8387 3.9842 3.9842 4.1241 4.1241 4.8325 4.8325 5.3339 5.3339 9.2025 9.2025 10.4346 10.4346 11.2110 11.2110 11.5805 11.5805 k = 0.4286 0.4124-0.0000 ( 7338 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3462 -33.3462 -14.7047 -14.7047 -14.3541 -14.3541 -14.2961 -14.2961 -3.2530 -3.2530 -3.0278 -3.0278 1.9683 1.9683 2.8362 2.8362 3.8941 3.8941 4.1317 4.1317 4.8346 4.8346 5.2717 5.2717 9.3382 9.3382 10.4357 10.4357 11.2271 11.2271 11.4874 11.4874 k = 0.4226 0.4227-0.0000 ( 7346 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3461 -33.3461 -14.7046 -14.7046 -14.3536 -14.3536 -14.2977 -14.2977 -3.2420 -3.2420 -3.0225 -3.0225 1.9956 1.9956 2.8330 2.8330 3.7975 3.7975 4.1470 4.1470 4.8356 4.8356 5.2095 5.2095 9.4760 9.4760 10.4348 10.4348 11.2317 11.2317 11.3993 11.3993 k = 0.4167 0.4330-0.0000 ( 7348 PWs) bands (ev): -93.6984 -93.6984 -93.6983 -93.6983 -33.3460 -33.3460 -14.7046 -14.7046 -14.3532 -14.3532 -14.2993 -14.2993 -3.2302 -3.2302 -3.0172 -3.0172 2.0249 2.0249 2.8289 2.8289 3.6994 3.6994 4.1657 4.1657 4.8354 4.8354 5.1481 5.1481 9.6144 9.6144 10.4312 10.4312 11.2273 11.2273 11.3186 11.3186 k = 0.4107 0.4433-0.0000 ( 7342 PWs) bands (ev): -93.6984 -93.6984 -93.6983 -93.6983 -33.3459 -33.3459 -14.7045 -14.7045 -14.3527 -14.3527 -14.3009 -14.3009 -3.2179 -3.2179 -3.0122 -3.0122 2.0563 2.0563 2.8238 2.8238 3.6017 3.6017 4.1867 4.1867 4.8335 4.8335 5.0884 5.0884 9.7524 9.7524 10.4243 10.4243 11.2160 11.2160 11.2476 11.2476 k = 0.4048 0.4536-0.0000 ( 7352 PWs) bands (ev): -93.6984 -93.6984 -93.6983 -93.6983 -33.3458 -33.3458 -14.7045 -14.7045 -14.3522 -14.3522 -14.3025 -14.3025 -3.2050 -3.2050 -3.0076 -3.0076 2.0897 2.0897 2.8176 2.8176 3.5054 3.5054 4.2097 4.2097 4.8293 4.8293 5.0313 5.0313 9.8887 9.8887 10.4135 10.4135 11.1813 11.1813 11.2065 11.2065 k = 0.3988 0.4639-0.0000 ( 7348 PWs) bands (ev): -93.6984 -93.6984 -93.6983 -93.6983 -33.3457 -33.3457 -14.7045 -14.7045 -14.3518 -14.3518 -14.3041 -14.3041 -3.1917 -3.1917 -3.0035 -3.0035 2.1251 2.1251 2.8103 2.8103 3.4111 3.4111 4.2345 4.2345 4.8220 4.8220 4.9780 4.9780 10.0221 10.0221 10.3987 10.3987 11.1320 11.1320 11.1891 11.1891 k = 0.3929 0.4743-0.0000 ( 7356 PWs) bands (ev): -93.6984 -93.6984 -93.6983 -93.6983 -33.3457 -33.3457 -14.7045 -14.7045 -14.3513 -14.3513 -14.3056 -14.3056 -3.1779 -3.1779 -3.0001 -3.0001 2.1626 2.1626 2.8017 2.8017 3.3197 3.3197 4.2609 4.2609 4.8103 4.8103 4.9302 4.9302 10.1505 10.1505 10.3812 10.3812 11.0935 11.0935 11.1718 11.1718 k = 0.3869 0.4846-0.0000 ( 7350 PWs) bands (ev): -93.6984 -93.6984 -93.6983 -93.6983 -33.3456 -33.3456 -14.7045 -14.7045 -14.3509 -14.3509 -14.3070 -14.3070 -3.1639 -3.1639 -2.9975 -2.9975 2.2020 2.2020 2.7918 2.7918 3.2314 3.2314 4.2891 4.2891 4.7925 4.7925 4.8897 4.8897 10.2643 10.2643 10.3701 10.3701 11.0668 11.0668 11.1544 11.1544 k = 0.3810 0.4949-0.0000 ( 7354 PWs) bands (ev): -93.6984 -93.6984 -93.6983 -93.6983 -33.3455 -33.3455 -14.7045 -14.7045 -14.3505 -14.3505 -14.3083 -14.3083 -3.1496 -3.1496 -2.9959 -2.9959 2.2433 2.2433 2.7805 2.7805 3.1470 3.1470 4.3188 4.3188 4.7677 4.7677 4.8578 4.8578 10.3029 10.3029 10.4264 10.4264 11.0514 11.0514 11.1373 11.1373 k = 0.3750 0.5052-0.0000 ( 7348 PWs) bands (ev): -93.6984 -93.6984 -93.6983 -93.6983 -33.3454 -33.3454 -14.7045 -14.7045 -14.3502 -14.3502 -14.3095 -14.3095 -3.1351 -3.1351 -2.9954 -2.9954 2.2865 2.2865 2.7679 2.7679 3.0668 3.0668 4.3502 4.3502 4.7379 4.7379 4.8325 4.8325 10.2838 10.2838 10.5328 10.5328 11.0470 11.0470 11.1208 11.1208 k = 0.3690 0.5155-0.0000 ( 7360 PWs) bands (ev): -93.6983 -93.6983 -93.6983 -93.6983 -33.3454 -33.3454 -14.7046 -14.7046 -14.3499 -14.3499 -14.3105 -14.3105 -3.1205 -3.1205 -2.9962 -2.9962 2.3315 2.3315 2.7539 2.7539 2.9914 2.9914 4.3829 4.3829 4.7070 4.7070 4.8100 4.8100 10.2579 10.2579 10.6382 10.6382 11.0533 11.0533 11.1051 11.1051 k = 0.3631 0.5258-0.0000 ( 7356 PWs) bands (ev): -93.6983 -93.6983 -93.6983 -93.6983 -33.3453 -33.3453 -14.7046 -14.7046 -14.3497 -14.3497 -14.3114 -14.3114 -3.1060 -3.1060 -2.9985 -2.9985 2.3782 2.3782 2.7385 2.7385 2.9212 2.9212 4.4170 4.4170 4.6781 4.6781 4.7877 4.7877 10.2324 10.2324 10.7342 10.7342 11.0686 11.0686 11.0928 11.0928 k = 0.3571 0.5361-0.0000 ( 7356 PWs) bands (ev): -93.6983 -93.6983 -93.6983 -93.6983 -33.3453 -33.3453 -14.7046 -14.7046 -14.3495 -14.3495 -14.3122 -14.3122 -3.0916 -3.0916 -3.0023 -3.0023 2.4265 2.4265 2.7215 2.7215 2.8570 2.8570 4.4522 4.4522 4.6527 4.6527 4.7639 4.7639 10.2094 10.2094 10.8160 10.8160 11.0677 11.0677 11.1105 11.1105 k = 0.3512 0.5464-0.0000 ( 7354 PWs) bands (ev): -93.6983 -93.6983 -93.6983 -93.6983 -33.3452 -33.3452 -14.7047 -14.7047 -14.3494 -14.3494 -14.3127 -14.3127 -3.0773 -3.0773 -3.0080 -3.0080 2.4761 2.4761 2.7025 2.7025 2.8002 2.8002 4.4875 4.4875 4.6324 4.6324 4.7382 4.7382 10.1903 10.1903 10.8803 10.8803 11.0525 11.0525 11.1569 11.1569 k = 0.3452 0.5567-0.0000 ( 7358 PWs) bands (ev): -93.6983 -93.6983 -93.6983 -93.6983 -33.3452 -33.3452 -14.7047 -14.7047 -14.3493 -14.3493 -14.3132 -14.3132 -3.0634 -3.0634 -3.0155 -3.0155 2.5264 2.5264 2.6798 2.6798 2.7531 2.7531 4.5209 4.5209 4.6192 4.6192 4.7104 4.7104 10.1760 10.1760 10.9278 10.9278 11.0346 11.0346 11.2145 11.2145 k = 0.3393 0.5670-0.0000 ( 7378 PWs) bands (ev): -93.6983 -93.6983 -93.6983 -93.6983 -33.3452 -33.3452 -14.7047 -14.7047 -14.3493 -14.3493 -14.3134 -14.3134 -3.0499 -3.0499 -3.0250 -3.0250 2.5758 2.5758 2.6516 2.6516 2.7200 2.7200 4.5459 4.5459 4.6185 4.6185 4.6816 4.6816 10.1671 10.1671 10.9632 10.9632 11.0143 11.0143 11.2686 11.2686 k = 0.3333 0.5774-0.0000 ( 7374 PWs) bands (ev): -93.6983 -93.6983 -93.6983 -93.6983 -33.3452 -33.3452 -14.7048 -14.7048 -14.3493 -14.3493 -14.3135 -14.3135 -3.0379 -3.0379 -3.0356 -3.0356 2.6128 2.6128 2.6243 2.6243 2.7061 2.7061 4.5537 4.5537 4.6291 4.6291 4.6617 4.6617 10.1641 10.1641 10.9898 10.9898 10.9922 10.9922 11.2910 11.2910 k = 0.3333 0.5774-0.0000 ( 7374 PWs) bands (ev): -93.6983 -93.6983 -93.6983 -93.6983 -33.3452 -33.3452 -14.7048 -14.7048 -14.3493 -14.3493 -14.3135 -14.3135 -3.0379 -3.0379 -3.0356 -3.0356 2.6128 2.6128 2.6243 2.6243 2.7061 2.7061 4.5537 4.5537 4.6291 4.6291 4.6617 4.6617 10.1641 10.1641 10.9898 10.9898 10.9922 10.9922 11.2910 11.2910 k = 0.3273 0.5669-0.0000 ( 7386 PWs) bands (ev): -93.6983 -93.6983 -93.6983 -93.6983 -33.3452 -33.3452 -14.7047 -14.7047 -14.3493 -14.3493 -14.3134 -14.3134 -3.0510 -3.0510 -3.0240 -3.0240 2.5853 2.5853 2.6359 2.6359 2.7265 2.7265 4.5479 4.5479 4.6114 4.6114 4.6867 4.6867 10.1673 10.1673 10.9640 10.9640 11.0138 11.0138 11.2816 11.2816 k = 0.3212 0.5564-0.0000 ( 7366 PWs) bands (ev): -93.6983 -93.6983 -93.6983 -93.6983 -33.3452 -33.3452 -14.7047 -14.7047 -14.3493 -14.3493 -14.3132 -14.3132 -3.0675 -3.0675 -3.0121 -3.0121 2.5568 2.5568 2.6295 2.6295 2.7748 2.7748 4.5285 4.5285 4.5931 4.5931 4.7290 4.7290 10.1769 10.1769 10.9337 10.9337 11.0311 11.0311 11.2586 11.2587 k = 0.3152 0.5459-0.0000 ( 7366 PWs) bands (ev): -93.6983 -93.6983 -93.6983 -93.6983 -33.3452 -33.3452 -14.7046 -14.7046 -14.3493 -14.3493 -14.3128 -14.3128 -3.0865 -3.0865 -3.0009 -3.0009 2.5336 2.5336 2.6184 2.6184 2.8320 2.8320 4.4939 4.4939 4.5885 4.5885 4.7757 4.7757 10.1930 10.1930 10.9007 10.9007 11.0401 11.0401 11.2170 11.2170 k = 0.3091 0.5354-0.0000 ( 7362 PWs) bands (ev): -93.6983 -93.6983 -93.6983 -93.6983 -33.3453 -33.3453 -14.7045 -14.7045 -14.3492 -14.3492 -14.3123 -14.3123 -3.1080 -3.1080 -2.9907 -2.9907 2.5166 2.5166 2.6076 2.6076 2.8926 2.8926 4.4506 4.4506 4.5929 4.5929 4.8252 4.8252 10.2154 10.2154 10.8653 10.8653 11.0314 11.0314 11.1789 11.1789 k = 0.3030 0.5249-0.0000 ( 7358 PWs) bands (ev): -93.6983 -93.6983 -93.6983 -93.6983 -33.3454 -33.3454 -14.7043 -14.7043 -14.3491 -14.3491 -14.3118 -14.3118 -3.1319 -3.1319 -2.9814 -2.9814 2.5058 2.5058 2.5985 2.5985 2.9550 2.9550 4.4028 4.4028 4.6029 4.6029 4.8768 4.8768 10.2439 10.2439 10.8282 10.8282 10.9946 10.9946 11.1625 11.1625 k = 0.2970 0.5144-0.0000 ( 7350 PWs) bands (ev): -93.6984 -93.6984 -93.6983 -93.6983 -33.3454 -33.3454 -14.7041 -14.7041 -14.3490 -14.3490 -14.3111 -14.3111 -3.1583 -3.1583 -2.9733 -2.9733 2.5016 2.5016 2.5919 2.5919 3.0187 3.0187 4.3521 4.3521 4.6173 4.6173 4.9302 4.9302 10.2782 10.2782 10.7900 10.7900 10.9363 10.9363 11.1639 11.1639 k = 0.2909 0.5039-0.0000 ( 7358 PWs) bands (ev): -93.6984 -93.6984 -93.6983 -93.6983 -33.3455 -33.3455 -14.7038 -14.7038 -14.3488 -14.3488 -14.3103 -14.3103 -3.1871 -3.1871 -2.9663 -2.9663 2.5039 2.5039 2.5881 2.5881 3.0832 3.0832 4.2995 4.2995 4.6354 4.6354 4.9853 4.9853 10.3178 10.3178 10.7510 10.7510 10.8685 10.8685 11.1723 11.1723 k = 0.2848 0.4934-0.0000 ( 7352 PWs) bands (ev): -93.6984 -93.6984 -93.6983 -93.6983 -33.3457 -33.3457 -14.7034 -14.7034 -14.3485 -14.3485 -14.3095 -14.3095 -3.2182 -3.2182 -2.9605 -2.9605 2.5127 2.5127 2.5875 2.5875 3.1479 3.1479 4.2460 4.2460 4.6571 4.6571 5.0420 5.0420 10.3624 10.3624 10.7115 10.7115 10.7969 10.7969 11.1825 11.1825 k = 0.2788 0.4829-0.0000 ( 7346 PWs) bands (ev): -93.6984 -93.6984 -93.6983 -93.6983 -33.3458 -33.3458 -14.7030 -14.7030 -14.3481 -14.3481 -14.3086 -14.3086 -3.2515 -3.2515 -2.9560 -2.9560 2.5277 2.5277 2.5906 2.5906 3.2122 3.2122 4.1923 4.1923 4.6820 4.6820 5.1002 5.1002 10.4110 10.4110 10.6716 10.6716 10.7241 10.7241 11.1927 11.1927 k = 0.2727 0.4724-0.0000 ( 7338 PWs) bands (ev): -93.6984 -93.6984 -93.6983 -93.6983 -33.3460 -33.3460 -14.7025 -14.7025 -14.3476 -14.3476 -14.3077 -14.3077 -3.2870 -3.2870 -2.9529 -2.9529 2.5486 2.5486 2.5978 2.5978 3.2752 3.2752 4.1399 4.1399 4.7101 4.7101 5.1598 5.1598 10.4626 10.4626 10.6298 10.6298 10.6533 10.6533 11.2021 11.2021 k = 0.2667 0.4619-0.0000 ( 7342 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3461 -33.3461 -14.7019 -14.7019 -14.3471 -14.3471 -14.3067 -14.3067 -3.3245 -3.3245 -2.9511 -2.9511 2.5744 2.5744 2.6100 2.6100 3.3354 3.3354 4.0903 4.0903 4.7410 4.7410 5.2207 5.2207 10.5116 10.5116 10.5766 10.5766 10.5994 10.5994 11.2105 11.2105 k = 0.2606 0.4514-0.0000 ( 7352 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3463 -33.3463 -14.7012 -14.7012 -14.3464 -14.3464 -14.3056 -14.3056 -3.3638 -3.3638 -2.9507 -2.9507 2.6028 2.6028 2.6297 2.6297 3.3906 3.3906 4.0462 4.0462 4.7748 4.7748 5.2829 5.2829 10.4900 10.4900 10.5549 10.5549 10.5872 10.5872 11.2179 11.2179 k = 0.2545 0.4409-0.0000 ( 7332 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3466 -33.3466 -14.7004 -14.7004 -14.3457 -14.3457 -14.3045 -14.3045 -3.4049 -3.4049 -2.9518 -2.9518 2.6295 2.6295 2.6607 2.6607 3.4375 3.4375 4.0113 4.0113 4.8112 4.8112 5.3462 5.3462 10.4206 10.4206 10.5178 10.5178 10.6395 10.6395 11.2249 11.2249 k = 0.2485 0.4304-0.0000 ( 7336 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3468 -33.3468 -14.6996 -14.6996 -14.3449 -14.3449 -14.3034 -14.3034 -3.4475 -3.4475 -2.9542 -2.9542 2.6555 2.6555 2.7017 2.7017 3.4713 3.4713 3.9909 3.9909 4.8502 4.8502 5.4107 5.4107 10.3493 10.3493 10.4801 10.4801 10.6942 10.6942 11.2324 11.2324 k = 0.2424 0.4199-0.0000 ( 7341 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3471 -33.3471 -14.6986 -14.6986 -14.3439 -14.3439 -14.3022 -14.3022 -3.4914 -3.4914 -2.9580 -2.9580 2.6842 2.6842 2.7487 2.7487 3.4878 3.4878 3.9898 3.9898 4.8916 4.8916 5.4762 5.4762 10.2784 10.2784 10.4431 10.4431 10.7455 10.7455 11.2419 11.2419 k = 0.2364 0.4094-0.0000 ( 7343 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3473 -33.3473 -14.6976 -14.6976 -14.3429 -14.3429 -14.3010 -14.3010 -3.5365 -3.5365 -2.9632 -2.9632 2.7167 2.7167 2.7997 2.7997 3.4860 3.4860 4.0103 4.0103 4.9355 4.9355 5.5426 5.5426 10.2087 10.2087 10.4068 10.4068 10.7901 10.7901 11.2548 11.2548 k = 0.2303 0.3989-0.0000 ( 7351 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3476 -33.3476 -14.6965 -14.6965 -14.3418 -14.3418 -14.2998 -14.2998 -3.5826 -3.5826 -2.9697 -2.9697 2.7534 2.7534 2.8525 2.8525 3.4700 3.4700 4.0496 4.0496 4.9817 4.9817 5.6098 5.6098 10.1403 10.1403 10.3715 10.3715 10.8249 10.8249 11.2728 11.2728 k = 0.2242 0.3884-0.0000 ( 7347 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3479 -33.3479 -14.6953 -14.6953 -14.3406 -14.3406 -14.2985 -14.2985 -3.6296 -3.6296 -2.9775 -2.9775 2.7943 2.7943 2.9042 2.9042 3.4476 3.4476 4.1028 4.1028 5.0301 5.0301 5.6778 5.6778 10.0734 10.0734 10.3371 10.3371 10.8479 10.8479 11.2961 11.2961 k = 0.2182 0.3779-0.0000 ( 7351 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3482 -33.3482 -14.6940 -14.6940 -14.3394 -14.3394 -14.2972 -14.2972 -3.6772 -3.6772 -2.9865 -2.9865 2.8393 2.8393 2.9504 2.9504 3.4280 3.4280 4.1654 4.1654 5.0806 5.0806 5.7463 5.7463 10.0081 10.0081 10.3039 10.3039 10.8584 10.8584 11.3227 11.3227 k = 0.2121 0.3674-0.0000 ( 7375 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3486 -33.3486 -14.6926 -14.6926 -14.3380 -14.3380 -14.2959 -14.2959 -3.7252 -3.7252 -2.9966 -2.9966 2.8873 2.8873 2.9846 2.9846 3.4216 3.4216 4.2341 4.2341 5.1333 5.1333 5.8153 5.8153 9.9446 9.9446 10.2719 10.2719 10.8574 10.8574 11.3481 11.3481 k = 0.2061 0.3569-0.0000 ( 7385 PWs) bands (ev): -93.6985 -93.6985 -93.6982 -93.6982 -33.3489 -33.3489 -14.6912 -14.6912 -14.3367 -14.3367 -14.2945 -14.2945 -3.7736 -3.7736 -3.0078 -3.0078 2.9340 2.9340 3.0037 3.0037 3.4377 3.4377 4.3070 4.3070 5.1880 5.1880 5.8847 5.8847 9.8830 9.8830 10.2413 10.2413 10.8469 10.8469 11.3661 11.3661 k = 0.2000 0.3464-0.0000 ( 7385 PWs) bands (ev): -93.6985 -93.6985 -93.6982 -93.6982 -33.3493 -33.3493 -14.6897 -14.6897 -14.3352 -14.3352 -14.2930 -14.2930 -3.8221 -3.8221 -3.0199 -3.0199 2.9557 2.9557 3.0293 3.0293 3.4796 3.4796 4.3825 4.3825 5.2447 5.2447 5.9543 5.9543 9.8234 9.8234 10.2121 10.2121 10.8289 10.8289 11.3701 11.3701 k = 0.1939 0.3359-0.0000 ( 7385 PWs) bands (ev): -93.6985 -93.6985 -93.6982 -93.6982 -33.3497 -33.3497 -14.6882 -14.6882 -14.3337 -14.3337 -14.2916 -14.2916 -3.8706 -3.8706 -3.0330 -3.0330 2.9355 2.9355 3.0829 3.0829 3.5433 3.5433 4.4599 4.4599 5.3034 5.3034 6.0240 6.0240 9.7658 9.7658 10.1846 10.1846 10.8051 10.8051 11.3553 11.3553 k = 0.1879 0.3254-0.0000 ( 7385 PWs) bands (ev): -93.6985 -93.6985 -93.6982 -93.6982 -33.3501 -33.3501 -14.6867 -14.6867 -14.3322 -14.3322 -14.2900 -14.2900 -3.9189 -3.9189 -3.0468 -3.0468 2.8961 2.8961 3.1481 3.1481 3.6227 3.6227 4.5384 4.5384 5.3639 5.3639 6.0936 6.0936 9.7102 9.7102 10.1588 10.1588 10.7768 10.7768 11.3218 11.3218 k = 0.1818 0.3149-0.0000 ( 7381 PWs) bands (ev): -93.6985 -93.6985 -93.6982 -93.6982 -33.3505 -33.3505 -14.6851 -14.6851 -14.3306 -14.3306 -14.2884 -14.2884 -3.9670 -3.9670 -3.0614 -3.0614 2.8481 2.8481 3.2194 3.2194 3.7132 3.7132 4.6177 4.6177 5.4262 5.4262 6.1630 6.1630 9.6568 9.6568 10.1349 10.1349 10.7452 10.7452 11.2735 11.2735 k = 0.1758 0.3044-0.0000 ( 7371 PWs) bands (ev): -93.6985 -93.6985 -93.6982 -93.6982 -33.3509 -33.3509 -14.6834 -14.6834 -14.3290 -14.3290 -14.2868 -14.2868 -4.0145 -4.0145 -3.0765 -3.0765 2.7956 2.7956 3.2954 3.2954 3.8118 3.8118 4.6973 4.6973 5.4902 5.4902 6.2320 6.2320 9.6056 9.6056 10.1130 10.1130 10.7109 10.7109 11.2160 11.2160 k = 0.1697 0.2939-0.0000 ( 7363 PWs) bands (ev): -93.6985 -93.6985 -93.6981 -93.6981 -33.3513 -33.3513 -14.6818 -14.6818 -14.3274 -14.3274 -14.2850 -14.2850 -4.0615 -4.0615 -3.0921 -3.0921 2.7408 2.7408 3.3756 3.3756 3.9167 3.9167 4.7770 4.7770 5.5560 5.5560 6.3004 6.3004 9.5565 9.5565 10.0932 10.0932 10.6748 10.6748 11.1540 11.1540 k = 0.1636 0.2834-0.0000 ( 7369 PWs) bands (ev): -93.6985 -93.6985 -93.6981 -93.6981 -33.3517 -33.3517 -14.6802 -14.6802 -14.3258 -14.3258 -14.2832 -14.2832 -4.1078 -4.1078 -3.1081 -3.1081 2.6850 2.6850 3.4598 3.4598 4.0267 4.0267 4.8566 4.8566 5.6233 5.6233 6.3680 6.3680 9.5095 9.5095 10.0758 10.0758 10.6373 10.6373 11.0906 11.0906 k = 0.1576 0.2729-0.0000 ( 7361 PWs) bands (ev): -93.6985 -93.6985 -93.6981 -93.6981 -33.3521 -33.3521 -14.6786 -14.6786 -14.3242 -14.3242 -14.2814 -14.2814 -4.1533 -4.1533 -3.1244 -3.1244 2.6290 2.6290 3.5477 3.5477 4.1410 4.1410 4.9360 4.9360 5.6922 5.6922 6.4348 6.4348 9.4647 9.4647 10.0607 10.0607 10.5991 10.5991 11.0280 11.0280 k = 0.1515 0.2624-0.0000 ( 7361 PWs) bands (ev): -93.6985 -93.6985 -93.6981 -93.6981 -33.3525 -33.3525 -14.6770 -14.6770 -14.3226 -14.3226 -14.2794 -14.2794 -4.1979 -4.1979 -3.1410 -3.1410 2.5735 2.5735 3.6392 3.6392 4.2587 4.2587 5.0149 5.0149 5.7624 5.7624 6.5004 6.5004 9.4219 9.4219 10.0482 10.0482 10.5607 10.5607 10.9675 10.9675 k = 0.1455 0.2519-0.0000 ( 7367 PWs) bands (ev): -93.6985 -93.6985 -93.6981 -93.6981 -33.3530 -33.3530 -14.6754 -14.6754 -14.3211 -14.3211 -14.2774 -14.2774 -4.2414 -4.2414 -3.1576 -3.1576 2.5187 2.5187 3.7339 3.7339 4.3793 4.3793 5.0936 5.0936 5.8341 5.8341 6.5647 6.5647 9.3812 9.3812 10.0382 10.0382 10.5224 10.5224 10.9100 10.9100 k = 0.1394 0.2414-0.0000 ( 7385 PWs) bands (ev): -93.6985 -93.6985 -93.6981 -93.6981 -33.3534 -33.3534 -14.6738 -14.6738 -14.3196 -14.3196 -14.2753 -14.2753 -4.2838 -4.2838 -3.1742 -3.1742 2.4649 2.4649 3.8317 3.8317 4.5020 4.5020 5.1720 5.1720 5.9069 5.9069 6.6275 6.6275 9.3424 9.3424 10.0310 10.0310 10.4849 10.4849 10.8561 10.8561 k = 0.1333 0.2309-0.0000 ( 7389 PWs) bands (ev): -93.6985 -93.6985 -93.6981 -93.6981 -33.3538 -33.3538 -14.6723 -14.6723 -14.3182 -14.3182 -14.2731 -14.2731 -4.3250 -4.3250 -3.1908 -3.1908 2.4125 2.4125 3.9324 3.9324 4.6260 4.6260 5.2504 5.2504 5.9809 5.9809 6.6887 6.6887 9.3054 9.3054 10.0264 10.0264 10.4484 10.4484 10.8062 10.8062 k = 0.1273 0.2204-0.0000 ( 7393 PWs) bands (ev): -93.6985 -93.6985 -93.6981 -93.6981 -33.3542 -33.3542 -14.6709 -14.6709 -14.3168 -14.3168 -14.2709 -14.2709 -4.3649 -4.3649 -3.2072 -3.2072 2.3616 2.3616 4.0356 4.0356 4.7503 4.7503 5.3294 5.3294 6.0558 6.0558 6.7481 6.7481 9.2701 9.2701 10.0246 10.0246 10.4134 10.4134 10.7605 10.7605 k = 0.1212 0.2099-0.0000 ( 7389 PWs) bands (ev): -93.6985 -93.6985 -93.6981 -93.6981 -33.3546 -33.3546 -14.6694 -14.6694 -14.3155 -14.3155 -14.2686 -14.2686 -4.4035 -4.4035 -3.2233 -3.2233 2.3124 2.3124 4.1412 4.1412 4.8734 4.8734 5.4098 5.4098 6.1315 6.1315 6.8056 6.8056 9.2365 9.2365 10.0254 10.0254 10.3802 10.3802 10.7192 10.7192 k = 0.1152 0.1994-0.0000 ( 7401 PWs) bands (ev): -93.6985 -93.6985 -93.6981 -93.6981 -33.3550 -33.3550 -14.6681 -14.6681 -14.3142 -14.3142 -14.2663 -14.2663 -4.4406 -4.4406 -3.2391 -3.2391 2.2650 2.2650 4.2488 4.2488 4.9938 4.9938 5.4929 5.4929 6.2078 6.2078 6.8610 6.8610 9.2043 9.2043 10.0288 10.0288 10.3491 10.3491 10.6826 10.6826 k = 0.1091 0.1890-0.0000 ( 7405 PWs) bands (ev): -93.6985 -93.6985 -93.6981 -93.6981 -33.3554 -33.3554 -14.6668 -14.6668 -14.3131 -14.3131 -14.2640 -14.2640 -4.4761 -4.4761 -3.2546 -3.2546 2.2194 2.2194 4.3581 4.3581 5.1091 5.1091 5.5804 5.5804 6.2846 6.2846 6.9143 6.9143 9.1735 9.1735 10.0346 10.0346 10.3200 10.3200 10.6508 10.6508 k = 0.1030 0.1785-0.0000 ( 7405 PWs) bands (ev): -93.6985 -93.6985 -93.6981 -93.6981 -33.3558 -33.3558 -14.6656 -14.6656 -14.3120 -14.3120 -14.2616 -14.2616 -4.5101 -4.5101 -3.2696 -3.2696 2.1759 2.1759 4.4687 4.4687 5.2168 5.2168 5.6744 5.6744 6.3615 6.3615 6.9654 6.9654 9.1440 9.1440 10.0422 10.0422 10.2931 10.2931 10.6241 10.6241 k = 0.0970 0.1680-0.0000 ( 7401 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3562 -33.3562 -14.6644 -14.6644 -14.3109 -14.3109 -14.2592 -14.2592 -4.5424 -4.5424 -3.2840 -3.2840 2.1345 2.1345 4.5802 4.5802 5.3148 5.3148 5.7764 5.7764 6.4384 6.4384 7.0142 7.0142 9.1158 9.1158 10.0514 10.0514 10.2682 10.2682 10.6025 10.6025 k = 0.0909 0.1575-0.0000 ( 7397 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3565 -33.3565 -14.6633 -14.6633 -14.3100 -14.3100 -14.2569 -14.2569 -4.5731 -4.5731 -3.2979 -3.2979 2.0952 2.0952 4.6921 4.6921 5.4017 5.4017 5.8873 5.8873 6.5148 6.5148 7.0610 7.0610 9.0888 9.0888 10.0613 10.0613 10.2450 10.2450 10.5864 10.5864 k = 0.0848 0.1470-0.0000 ( 7397 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3569 -33.3569 -14.6623 -14.6623 -14.3091 -14.3091 -14.2546 -14.2546 -4.6020 -4.6020 -3.3111 -3.3111 2.0582 2.0582 4.8039 4.8039 5.4776 5.4776 6.0064 6.0064 6.5906 6.5906 7.1057 7.1057 9.0629 9.0629 10.0709 10.0709 10.2233 10.2233 10.5758 10.5758 k = 0.0788 0.1365-0.0000 ( 7381 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3572 -33.3572 -14.6614 -14.6614 -14.3083 -14.3083 -14.2523 -14.2523 -4.6291 -4.6291 -3.3236 -3.3236 2.0235 2.0235 4.9149 4.9149 5.5436 5.5436 6.1318 6.1318 6.6652 6.6652 7.1485 7.1485 9.0382 9.0382 10.0787 10.0787 10.2027 10.2027 10.5708 10.5708 k = 0.0727 0.1260-0.0000 ( 7377 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3575 -33.3575 -14.6605 -14.6605 -14.3075 -14.3075 -14.2501 -14.2501 -4.6543 -4.6543 -3.3354 -3.3354 1.9911 1.9911 5.0245 5.0245 5.6010 5.6010 6.2612 6.2612 6.7384 6.7384 7.1897 7.1897 9.0148 9.0148 10.0825 10.0825 10.1830 10.1830 10.5711 10.5711 k = 0.0667 0.1155-0.0000 ( 7373 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3578 -33.3578 -14.6597 -14.6597 -14.3069 -14.3069 -14.2481 -14.2481 -4.6777 -4.6777 -3.3464 -3.3464 1.9612 1.9612 5.1318 5.1318 5.6513 5.6513 6.3920 6.3920 6.8101 6.8101 7.2296 7.2296 8.9926 8.9926 10.0799 10.0799 10.1638 10.1638 10.5759 10.5760 k = 0.0606 0.1050-0.0000 ( 7381 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3580 -33.3580 -14.6590 -14.6590 -14.3062 -14.3062 -14.2461 -14.2461 -4.6991 -4.6991 -3.3566 -3.3566 1.9337 1.9337 5.2358 5.2358 5.6955 5.6955 6.5214 6.5214 6.8802 6.8802 7.2684 7.2684 8.9718 8.9718 10.0678 10.0678 10.1449 10.1449 10.4967 10.4967 k = 0.0545 0.0945-0.0000 ( 7369 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3583 -33.3583 -14.6584 -14.6584 -14.3057 -14.3057 -14.2442 -14.2442 -4.7187 -4.7187 -3.3659 -3.3659 1.9087 1.9087 5.3354 5.3354 5.7347 5.7347 6.6458 6.6458 6.9495 6.9495 7.3065 7.3065 8.9525 8.9525 10.0440 10.0440 10.1261 10.1261 10.4100 10.4100 k = 0.0485 0.0840-0.0000 ( 7377 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3585 -33.3585 -14.6578 -14.6578 -14.3052 -14.3052 -14.2425 -14.2425 -4.7362 -4.7362 -3.3743 -3.3743 1.8863 1.8863 5.4293 5.4293 5.7695 5.7695 6.7605 6.7605 7.0199 7.0199 7.3443 7.3443 8.9347 8.9347 10.0080 10.0080 10.1071 10.1071 10.3294 10.3294 k = 0.0424 0.0735-0.0000 ( 7375 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3587 -33.3587 -14.6573 -14.6573 -14.3048 -14.3048 -14.2410 -14.2410 -4.7517 -4.7517 -3.3818 -3.3818 1.8664 1.8664 5.5158 5.5158 5.8008 5.8008 6.8594 6.8594 7.0944 7.0944 7.3819 7.3819 8.9186 8.9186 9.9622 9.9622 10.0878 10.0878 10.2550 10.2550 k = 0.0364 0.0630-0.0000 ( 7369 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3589 -33.3589 -14.6569 -14.6569 -14.3044 -14.3044 -14.2396 -14.2396 -4.7652 -4.7652 -3.3883 -3.3883 1.8491 1.8491 5.5932 5.5932 5.8294 5.8294 6.9377 6.9377 7.1745 7.1745 7.4193 7.4193 8.9042 8.9042 9.9109 9.9109 10.0680 10.0680 10.1869 10.1869 k = 0.0303 0.0525-0.0000 ( 7371 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3590 -33.3590 -14.6565 -14.6565 -14.3041 -14.3041 -14.2384 -14.2384 -4.7767 -4.7767 -3.3939 -3.3939 1.8345 1.8345 5.6594 5.6594 5.8560 5.8560 6.9957 6.9957 7.2563 7.2563 7.4567 7.4567 8.8917 8.8917 9.8590 9.8590 10.0475 10.0475 10.1259 10.1259 k = 0.0242 0.0420-0.0000 ( 7379 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3591 -33.3591 -14.6562 -14.6562 -14.3039 -14.3039 -14.2375 -14.2375 -4.7861 -4.7861 -3.3985 -3.3985 1.8224 1.8224 5.7125 5.7125 5.8813 5.8813 7.0371 7.0371 7.3317 7.3317 7.4942 7.4942 8.8811 8.8811 9.8107 9.8107 10.0266 10.0266 10.0735 10.0735 k = 0.0182 0.0315-0.0000 ( 7379 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3592 -33.3592 -14.6560 -14.6560 -14.3037 -14.3037 -14.2367 -14.2367 -4.7934 -4.7934 -3.4021 -3.4021 1.8131 1.8131 5.7517 5.7517 5.9049 5.9049 7.0660 7.0660 7.3922 7.3922 7.5315 7.5315 8.8726 8.8726 9.7696 9.7696 10.0064 10.0064 10.0309 10.0309 k = 0.0121 0.0210-0.0000 ( 7377 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3593 -33.3593 -14.6558 -14.6558 -14.3036 -14.3036 -14.2361 -14.2361 -4.7987 -4.7987 -3.4046 -3.4046 1.8064 1.8064 5.7776 5.7776 5.9248 5.9248 7.0852 7.0852 7.4338 7.4338 7.5657 7.5657 8.8663 8.8663 9.7383 9.7383 9.9884 9.9884 10.0000 10.0000 k = 0.0061 0.0105-0.0000 ( 7361 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3593 -33.3593 -14.6557 -14.6557 -14.3035 -14.3035 -14.2358 -14.2358 -4.8018 -4.8018 -3.4062 -3.4062 1.8023 1.8023 5.7920 5.7920 5.9383 5.9383 7.0962 7.0962 7.4570 7.4570 7.5903 7.5903 8.8625 8.8625 9.7187 9.7187 9.9746 9.9746 9.9823 9.9823 k = 0.0000 0.0000 0.0000 ( 7357 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3594 -33.3594 -14.6557 -14.6557 -14.3035 -14.3035 -14.2357 -14.2357 -4.8029 -4.8029 -3.4067 -3.4067 1.8010 1.8010 5.7966 5.7966 5.9431 5.9431 7.0998 7.0998 7.4644 7.4644 7.5993 7.5993 8.8612 8.8612 9.7120 9.7120 9.9692 9.9692 9.9769 9.9769 k = 0.0000 0.0000 0.0000 ( 7357 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3594 -33.3594 -14.6557 -14.6557 -14.3035 -14.3035 -14.2357 -14.2357 -4.8029 -4.8029 -3.4067 -3.4067 1.8010 1.8010 5.7966 5.7966 5.9431 5.9431 7.0998 7.0998 7.4644 7.4644 7.5993 7.5993 8.8612 8.8612 9.7120 9.7120 9.9692 9.9692 9.9769 9.9769 k = 0.0000 0.0000 0.0119 ( 7363 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3594 -33.3594 -14.6557 -14.6557 -14.3035 -14.3035 -14.2357 -14.2357 -4.8020 -4.8020 -3.4085 -3.4085 1.8048 1.8048 5.7976 5.7976 5.9441 5.9441 7.0865 7.0865 7.4575 7.4575 7.5959 7.5959 8.8744 8.8744 9.7131 9.7131 9.9721 9.9721 9.9800 9.9800 k = 0.0000 0.0000 0.0237 ( 7375 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3594 -33.3594 -14.6557 -14.6557 -14.3035 -14.3035 -14.2357 -14.2357 -4.7992 -4.7992 -3.4139 -3.4139 1.8162 1.8162 5.8006 5.8006 5.9471 5.9471 7.0467 7.0467 7.4386 7.4386 7.5860 7.5860 8.9121 8.9121 9.7163 9.7163 9.9805 9.9805 9.9891 9.9891 k = 0.0000 0.0000 0.0356 ( 7369 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3594 -33.3594 -14.6557 -14.6557 -14.3035 -14.3035 -14.2357 -14.2357 -4.7946 -4.7946 -3.4229 -3.4229 1.8352 1.8352 5.8056 5.8056 5.9522 5.9522 6.9817 6.9817 7.4116 7.4116 7.5697 7.5697 8.9687 8.9687 9.7221 9.7221 9.9940 9.9940 10.0035 10.0035 k = 0.0000 0.0000 0.0474 ( 7399 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3594 -33.3594 -14.6557 -14.6557 -14.3035 -14.3035 -14.2357 -14.2357 -4.7882 -4.7882 -3.4353 -3.4353 1.8615 1.8615 5.8125 5.8125 5.9592 5.9592 6.8942 6.8942 7.3798 7.3798 7.5475 7.5475 9.0376 9.0376 9.7307 9.7307 10.0116 10.0116 10.0223 10.0223 k = 0.0000 0.0000 0.0593 ( 7399 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3594 -33.3594 -14.6557 -14.6557 -14.3035 -14.3035 -14.2357 -14.2357 -4.7800 -4.7800 -3.4509 -3.4509 1.8951 1.8951 5.8214 5.8214 5.9683 5.9683 6.7882 6.7882 7.3450 7.3450 7.5199 7.5199 9.1117 9.1117 9.7428 9.7428 10.0320 10.0320 10.0438 10.0438 k = 0.0000 0.0000 0.0711 ( 7393 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3594 -33.3594 -14.6557 -14.6557 -14.3035 -14.3035 -14.2357 -14.2357 -4.7701 -4.7701 -3.4697 -3.4697 1.9357 1.9357 5.8322 5.8322 5.9793 5.9793 6.6682 6.6682 7.3079 7.3079 7.4875 7.4875 9.1852 9.1852 9.7590 9.7590 10.0535 10.0535 10.0663 10.0663 k = 0.0000 0.0000 0.0830 ( 7387 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3594 -33.3594 -14.6557 -14.6557 -14.3035 -14.3035 -14.2357 -14.2357 -4.7585 -4.7585 -3.4912 -3.4912 1.9830 1.9830 5.8449 5.8449 5.9923 5.9923 6.5379 6.5379 7.2686 7.2686 7.4508 7.4508 9.2531 9.2531 9.7800 9.7800 10.0741 10.0741 10.0875 10.0875 k = 0.0000 0.0000 0.0948 ( 7393 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3594 -33.3594 -14.6558 -14.6558 -14.3036 -14.3036 -14.2357 -14.2357 -4.7453 -4.7453 -3.5153 -3.5153 2.0367 2.0367 5.8595 5.8595 6.0071 6.0071 6.4004 6.4004 7.2272 7.2272 7.4106 7.4106 9.3120 9.3120 9.8056 9.8056 10.0920 10.0920 10.1056 10.1056 k = 0.0000 0.0000 0.1067 ( 7393 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3594 -33.3594 -14.6558 -14.6558 -14.3036 -14.3036 -14.2357 -14.2357 -4.7305 -4.7305 -3.5418 -3.5418 2.0965 2.0965 5.8760 5.8760 6.0239 6.0239 6.2581 6.2581 7.1839 7.1839 7.3674 7.3674 9.3603 9.3603 9.8353 9.8353 10.1056 10.1056 10.1188 10.1188 k = 0.0000 0.0000 0.1185 ( 7381 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3594 -33.3594 -14.6558 -14.6558 -14.3036 -14.3036 -14.2357 -14.2357 -4.7143 -4.7143 -3.5702 -3.5702 2.1619 2.1619 5.8942 5.8942 6.0424 6.0424 6.1128 6.1128 7.1390 7.1390 7.3219 7.3219 9.3981 9.3981 9.8674 9.8674 10.1139 10.1139 10.1263 10.1263 k = 0.0000 0.0000 0.1304 ( 7369 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3594 -33.3594 -14.6558 -14.6558 -14.3036 -14.3036 -14.2357 -14.2357 -4.6967 -4.6967 -3.6002 -3.6002 2.2326 2.2326 5.9140 5.9140 5.9660 5.9660 6.0627 6.0627 7.0928 7.0928 7.2747 7.2747 9.4267 9.4267 9.9001 9.9001 10.1169 10.1169 10.1283 10.1283 k = 0.0000 0.0000 0.1422 ( 7399 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3594 -33.3594 -14.6558 -14.6558 -14.3036 -14.3036 -14.2357 -14.2357 -4.6779 -4.6779 -3.6315 -3.6315 2.3080 2.3080 5.8188 5.8188 5.9356 5.9356 6.0846 6.0846 7.0457 7.0457 7.2262 7.2262 9.4479 9.4479 9.9316 9.9316 10.1152 10.1152 10.1255 10.1255 k = 0.0000 0.0000 0.1541 ( 7393 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3594 -33.3594 -14.6558 -14.6558 -14.3037 -14.3037 -14.2357 -14.2357 -4.6580 -4.6580 -3.6638 -3.6638 2.3875 2.3875 5.6724 5.6724 5.9586 5.9586 6.1081 6.1081 6.9981 6.9981 7.1770 7.1770 9.4636 9.4636 9.9609 9.9609 10.1099 10.1099 10.1192 10.1192 k = 0.0000 0.0000 0.1659 ( 7381 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3594 -33.3594 -14.6559 -14.6559 -14.3037 -14.3037 -14.2357 -14.2357 -4.6373 -4.6373 -3.6965 -3.6965 2.4706 2.4706 5.5278 5.5278 5.9830 5.9830 6.1329 6.1329 6.9504 6.9504 7.1277 7.1277 9.4750 9.4750 9.9872 9.9872 10.1020 10.1020 10.1105 10.1105 k = 0.0000 0.0000 0.1778 ( 7393 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3594 -33.3594 -14.6559 -14.6559 -14.3037 -14.3037 -14.2357 -14.2357 -4.6161 -4.6161 -3.7293 -3.7293 2.5564 2.5564 5.3859 5.3859 6.0085 6.0085 6.1590 6.1590 6.9029 6.9029 7.0786 7.0786 9.4835 9.4835 10.0103 10.0103 10.0927 10.0927 10.1004 10.1004 k = 0.0000 0.0000 0.1896 ( 7387 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3594 -33.3594 -14.6559 -14.6559 -14.3037 -14.3037 -14.2357 -14.2357 -4.5945 -4.5945 -3.7616 -3.7616 2.6440 2.6440 5.2480 5.2480 6.0351 6.0351 6.1861 6.1861 6.8563 6.8563 7.0304 7.0304 9.4897 9.4897 10.0303 10.0303 10.0827 10.0827 10.0898 10.0898 k = 0.0000 0.0000 0.2015 ( 7387 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3594 -33.3594 -14.6559 -14.6559 -14.3038 -14.3038 -14.2357 -14.2357 -4.5730 -4.5730 -3.7930 -3.7930 2.7320 2.7320 5.1153 5.1153 6.0622 6.0622 6.2138 6.2138 6.8110 6.8110 6.9835 6.9835 9.4943 9.4943 10.0474 10.0474 10.0727 10.0727 10.0793 10.0793 k = 0.0000 0.0000 0.2133 ( 7399 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3594 -33.3594 -14.6559 -14.6559 -14.3038 -14.3038 -14.2357 -14.2357 -4.5521 -4.5521 -3.8228 -3.8228 2.8191 2.8191 4.9895 4.9895 6.0895 6.0895 6.2416 6.2416 6.7676 6.7676 6.9387 6.9387 9.4977 9.4977 10.0614 10.0614 10.0636 10.0636 10.0694 10.0694 k = 0.0000 0.0000 0.2252 ( 7399 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3594 -33.3594 -14.6559 -14.6559 -14.3038 -14.3038 -14.2357 -14.2357 -4.5324 -4.5324 -3.8502 -3.8502 2.9030 2.9030 4.8728 4.8728 6.1162 6.1162 6.2690 6.2690 6.7270 6.7270 6.8967 6.8967 9.5001 9.5001 10.0546 10.0546 10.0606 10.0606 10.0736 10.0736 k = 0.0000 0.0000 0.2370 ( 7375 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3594 -33.3594 -14.6559 -14.6559 -14.3038 -14.3038 -14.2357 -14.2357 -4.5146 -4.5146 -3.8746 -3.8746 2.9809 2.9809 4.7679 4.7679 6.1416 6.1416 6.2949 6.2949 6.6901 6.6901 6.8586 6.8586 9.5019 9.5019 10.0473 10.0473 10.0530 10.0530 10.0831 10.0831 k = 0.0000 0.0000 0.2489 ( 7381 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3594 -33.3594 -14.6560 -14.6560 -14.3038 -14.3038 -14.2357 -14.2357 -4.4994 -4.4994 -3.8949 -3.8949 3.0493 3.0493 4.6787 4.6787 6.1644 6.1644 6.3181 6.3181 6.6583 6.6583 6.8258 6.8258 9.5032 9.5032 10.0414 10.0414 10.0470 10.0470 10.0903 10.0903 k = 0.0000 0.0000 0.2607 ( 7386 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3594 -33.3594 -14.6560 -14.6560 -14.3038 -14.3038 -14.2357 -14.2357 -4.4877 -4.4877 -3.9103 -3.9103 3.1035 3.1035 4.6095 4.6095 6.1828 6.1828 6.3370 6.3370 6.6334 6.6334 6.8001 6.8001 9.5040 9.5040 10.0371 10.0371 10.0426 10.0426 10.0953 10.0953 k = 0.0000 0.0000 0.2726 ( 7392 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3594 -33.3594 -14.6560 -14.6560 -14.3038 -14.3038 -14.2357 -14.2357 -4.4803 -4.4803 -3.9199 -3.9199 3.1388 3.1388 4.5653 4.5653 6.1950 6.1950 6.3494 6.3494 6.6173 6.6173 6.7835 6.7835 9.5044 9.5044 10.0345 10.0345 10.0399 10.0399 10.0983 10.0983 k = 0.0000 0.0000 0.2844 ( 7392 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3594 -33.3594 -14.6560 -14.6560 -14.3038 -14.3038 -14.2357 -14.2357 -4.4778 -4.4778 -3.9232 -3.9232 3.1510 3.1510 4.5500 4.5500 6.1993 6.1993 6.3538 6.3538 6.6117 6.6117 6.7778 6.7778 9.5046 9.5046 10.0336 10.0336 10.0390 10.0390 10.0993 10.0993 k = 0.0000 0.0000 0.2844 ( 7392 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3594 -33.3594 -14.6560 -14.6560 -14.3038 -14.3038 -14.2357 -14.2357 -4.4778 -4.4778 -3.9232 -3.9232 3.1510 3.1510 4.5500 4.5500 6.1993 6.1993 6.3538 6.3538 6.6117 6.6117 6.7778 6.7778 9.5046 9.5046 10.0336 10.0336 10.0390 10.0390 10.0993 10.0993 k = 0.0106 0.0061 0.2844 ( 7386 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3593 -33.3593 -14.6560 -14.6560 -14.3039 -14.3039 -14.2358 -14.2358 -4.4769 -4.4769 -3.9222 -3.9222 3.1514 3.1514 4.5500 4.5500 6.1927 6.1927 6.3453 6.3453 6.6103 6.6103 6.7745 6.7745 9.5110 9.5110 10.0268 10.0268 10.0410 10.0410 10.1176 10.1176 k = 0.0213 0.0123 0.2844 ( 7382 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3593 -33.3593 -14.6561 -14.6561 -14.3039 -14.3039 -14.2361 -14.2361 -4.4745 -4.4745 -3.9193 -3.9193 3.1524 3.1524 4.5502 4.5502 6.1729 6.1729 6.3213 6.3213 6.6046 6.6046 6.7655 6.7655 9.5296 9.5296 10.0144 10.0144 10.0530 10.0530 10.1584 10.1584 k = 0.0319 0.0184 0.2844 ( 7390 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3592 -33.3592 -14.6563 -14.6563 -14.3041 -14.3041 -14.2367 -14.2367 -4.4703 -4.4703 -3.9144 -3.9144 3.1541 3.1541 4.5502 4.5502 6.1390 6.1390 6.2856 6.2856 6.5909 6.5909 6.7531 6.7531 9.5581 9.5581 10.0084 10.0084 10.0733 10.0733 10.2116 10.2116 k = 0.0426 0.0246 0.2844 ( 7390 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3591 -33.3591 -14.6565 -14.6565 -14.3043 -14.3043 -14.2375 -14.2375 -4.4646 -4.4646 -3.9077 -3.9077 3.1564 3.1564 4.5498 4.5498 6.0907 6.0907 6.2428 6.2428 6.5647 6.5647 6.7410 6.7410 9.5927 9.5927 10.0128 10.0128 10.1012 10.1012 10.2741 10.2741 k = 0.0532 0.0307 0.2844 ( 7386 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3590 -33.3590 -14.6568 -14.6568 -14.3045 -14.3045 -14.2385 -14.2385 -4.4572 -4.4572 -3.8990 -3.8990 3.1593 3.1593 4.5486 4.5486 6.0286 6.0286 6.1962 6.1962 6.5231 6.5231 6.7312 6.7312 9.6280 9.6280 10.0310 10.0310 10.1364 10.1364 10.3441 10.3441 k = 0.0638 0.0369 0.2844 ( 7388 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3589 -33.3589 -14.6572 -14.6572 -14.3048 -14.3048 -14.2397 -14.2397 -4.4481 -4.4481 -3.8884 -3.8884 3.1627 3.1627 4.5460 4.5460 5.9549 5.9549 6.1476 6.1476 6.4666 6.4666 6.7239 6.7239 9.6577 9.6577 10.0666 10.0666 10.1782 10.1782 10.4190 10.4190 k = 0.0745 0.0430 0.2844 ( 7392 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3587 -33.3587 -14.6576 -14.6576 -14.3052 -14.3052 -14.2411 -14.2411 -4.4375 -4.4375 -3.8760 -3.8760 3.1667 3.1667 4.5412 4.5412 5.8733 5.8733 6.0971 6.0971 6.3973 6.3973 6.7175 6.7175 9.6776 9.6776 10.1212 10.1212 10.2259 10.2259 10.4958 10.4958 k = 0.0851 0.0491 0.2844 ( 7406 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3585 -33.3585 -14.6581 -14.6581 -14.3056 -14.3056 -14.2427 -14.2427 -4.4252 -4.4252 -3.8617 -3.8617 3.1710 3.1710 4.5330 4.5330 5.7874 5.7874 6.0445 6.0445 6.3177 6.3177 6.7110 6.7110 9.6866 9.6866 10.1927 10.1927 10.2786 10.2786 10.5693 10.5693 k = 0.0957 0.0553 0.2844 ( 7406 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3583 -33.3583 -14.6587 -14.6587 -14.3061 -14.3061 -14.2444 -14.2444 -4.4114 -4.4114 -3.8457 -3.8457 3.1757 3.1757 4.5202 4.5202 5.7007 5.7007 5.9898 5.9898 6.2300 6.2300 6.7035 6.7035 9.6862 9.6862 10.2762 10.2762 10.3356 10.3356 10.6307 10.6307 k = 0.1064 0.0614 0.2844 ( 7408 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3580 -33.3580 -14.6594 -14.6594 -14.3067 -14.3067 -14.2463 -14.2463 -4.3960 -4.3960 -3.8280 -3.8280 3.1807 3.1807 4.5010 4.5010 5.6167 5.6167 5.9326 5.9326 6.1365 6.1365 6.6945 6.6945 9.6781 9.6781 10.3654 10.3654 10.3959 10.3959 10.6651 10.6651 k = 0.1170 0.0676 0.2844 ( 7404 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3577 -33.3577 -14.6601 -14.6601 -14.3073 -14.3073 -14.2483 -14.2483 -4.3791 -4.3791 -3.8085 -3.8085 3.1857 3.1857 4.4736 4.4736 5.5384 5.5384 5.8727 5.8727 6.0393 6.0393 6.6838 6.6838 9.6640 9.6640 10.4491 10.4491 10.4596 10.4596 10.6637 10.6637 k = 0.1277 0.0737 0.2844 ( 7388 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3574 -33.3574 -14.6609 -14.6609 -14.3080 -14.3080 -14.2504 -14.2504 -4.3606 -4.3606 -3.7875 -3.7875 3.1906 3.1906 4.4360 4.4360 5.4687 5.4687 5.8087 5.8087 5.9415 5.9415 6.6713 6.6713 9.6447 9.6447 10.5047 10.5047 10.5210 10.5210 10.6579 10.6579 k = 0.1383 0.0798 0.2844 ( 7374 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3571 -33.3571 -14.6618 -14.6618 -14.3088 -14.3088 -14.2526 -14.2526 -4.3407 -4.3407 -3.7649 -3.7649 3.1953 3.1953 4.3869 4.3869 5.4096 5.4096 5.7380 5.7380 5.8476 5.8476 6.6572 6.6572 9.6208 9.6208 10.4901 10.4901 10.5808 10.5808 10.7006 10.7006 k = 0.1489 0.0860 0.2844 ( 7370 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3568 -33.3568 -14.6627 -14.6627 -14.3097 -14.3097 -14.2548 -14.2548 -4.3193 -4.3193 -3.7408 -3.7408 3.1994 3.1994 4.3257 4.3257 5.3619 5.3619 5.6567 5.6567 5.7631 5.7631 6.6413 6.6413 9.5923 9.5923 10.4371 10.4371 10.6391 10.6391 10.7615 10.7615 k = 0.1596 0.0921 0.2844 ( 7378 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3565 -33.3565 -14.6638 -14.6638 -14.3107 -14.3107 -14.2571 -14.2571 -4.2965 -4.2965 -3.7154 -3.7154 3.2027 3.2027 4.2529 4.2529 5.3245 5.3245 5.5659 5.5659 5.6897 5.6897 6.6240 6.6240 9.5595 9.5595 10.3764 10.3764 10.6929 10.6929 10.8061 10.8061 k = 0.1702 0.0983 0.2844 ( 7382 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3561 -33.3561 -14.6649 -14.6649 -14.3117 -14.3117 -14.2594 -14.2594 -4.2723 -4.2723 -3.6886 -3.6886 3.2049 3.2049 4.1698 4.1698 5.2926 5.2926 5.4739 5.4739 5.6239 5.6239 6.6052 6.6052 9.5223 9.5223 10.3165 10.3165 10.7405 10.7405 10.8181 10.8181 k = 0.1809 0.1044 0.2844 ( 7370 PWs) bands (ev): -93.6985 -93.6985 -93.6981 -93.6981 -33.3557 -33.3557 -14.6661 -14.6661 -14.3129 -14.3129 -14.2616 -14.2616 -4.2467 -4.2467 -3.6606 -3.6606 3.2054 3.2054 4.0785 4.0785 5.2532 5.2532 5.3967 5.3967 5.5624 5.5624 6.5852 6.5852 9.4810 9.4810 10.2601 10.2601 10.7795 10.7795 10.7944 10.7944 k = 0.1915 0.1106 0.2844 ( 7378 PWs) bands (ev): -93.6985 -93.6985 -93.6981 -93.6981 -33.3553 -33.3553 -14.6674 -14.6674 -14.3142 -14.3142 -14.2638 -14.2638 -4.2199 -4.2199 -3.6314 -3.6314 3.2038 3.2038 3.9813 3.9813 5.1867 5.1867 5.3541 5.3541 5.5042 5.5042 6.5642 6.5642 9.4358 9.4358 10.2086 10.2086 10.7375 10.7375 10.8144 10.8144 k = 0.2021 0.1167 0.2844 ( 7374 PWs) bands (ev): -93.6985 -93.6985 -93.6981 -93.6981 -33.3549 -33.3549 -14.6687 -14.6687 -14.3156 -14.3156 -14.2659 -14.2659 -4.1919 -4.1919 -3.6013 -3.6013 3.1993 3.1993 3.8803 3.8803 5.0983 5.0983 5.3397 5.3397 5.4501 5.4501 6.5422 6.5422 9.3871 9.3871 10.1624 10.1624 10.6642 10.6642 10.8398 10.8398 k = 0.2128 0.1228 0.2844 ( 7372 PWs) bands (ev): -93.6985 -93.6985 -93.6981 -93.6981 -33.3545 -33.3545 -14.6701 -14.6701 -14.3171 -14.3171 -14.2680 -14.2680 -4.1627 -4.1627 -3.5702 -3.5702 3.1909 3.1909 3.7776 3.7776 5.0032 5.0032 5.3317 5.3317 5.4059 5.4059 6.5195 6.5195 9.3355 9.3355 10.1215 10.1215 10.5802 10.5802 10.8594 10.8594 k = 0.2234 0.1290 0.2844 ( 7364 PWs) bands (ev): -93.6985 -93.6985 -93.6981 -93.6981 -33.3541 -33.3541 -14.6716 -14.6716 -14.3187 -14.3187 -14.2699 -14.2699 -4.1324 -4.1324 -3.5383 -3.5383 3.1774 3.1774 3.6751 3.6751 4.9085 4.9085 5.3058 5.3058 5.3891 5.3891 6.4963 6.4963 9.2817 9.2817 10.0855 10.0855 10.4905 10.4905 10.8741 10.8741 k = 0.2340 0.1351 0.2844 ( 7364 PWs) bands (ev): -93.6985 -93.6985 -93.6981 -93.6981 -33.3537 -33.3537 -14.6731 -14.6731 -14.3204 -14.3204 -14.2717 -14.2717 -4.1010 -4.1010 -3.5058 -3.5058 3.1573 3.1573 3.5752 3.5752 4.8171 4.8171 5.2613 5.2613 5.3973 5.3973 6.4727 6.4727 9.2264 9.2264 10.0538 10.0538 10.3982 10.3982 10.8850 10.8850 k = 0.2447 0.1413 0.2844 ( 7368 PWs) bands (ev): -93.6985 -93.6985 -93.6981 -93.6981 -33.3533 -33.3533 -14.6747 -14.6747 -14.3222 -14.3222 -14.2734 -14.2734 -4.0687 -4.0687 -3.4728 -3.4728 3.1283 3.1283 3.4801 3.4801 4.7308 4.7308 5.2123 5.2123 5.4150 5.4150 6.4488 6.4488 9.1702 9.1702 10.0254 10.0254 10.3060 10.3060 10.8931 10.8931 k = 0.2553 0.1474 0.2844 ( 7372 PWs) bands (ev): -93.6985 -93.6985 -93.6981 -93.6981 -33.3528 -33.3528 -14.6764 -14.6764 -14.3241 -14.3241 -14.2749 -14.2749 -4.0356 -4.0356 -3.4394 -3.4394 3.0880 3.0880 3.3924 3.3924 4.6507 4.6507 5.1631 5.1631 5.4370 5.4370 6.4249 6.4249 9.1137 9.1137 9.9984 9.9984 10.2166 10.2166 10.8989 10.8989 k = 0.2660 0.1536 0.2844 ( 7372 PWs) bands (ev): -93.6985 -93.6985 -93.6981 -93.6981 -33.3524 -33.3524 -14.6780 -14.6780 -14.3261 -14.3261 -14.2763 -14.2763 -4.0017 -4.0017 -3.4058 -3.4058 3.0345 3.0345 3.3140 3.3140 4.5780 4.5780 5.1148 5.1148 5.4615 5.4615 6.4011 6.4011 9.0575 9.0575 9.9691 9.9691 10.1345 10.1345 10.9029 10.9029 k = 0.2766 0.1597 0.2844 ( 7368 PWs) bands (ev): -93.6985 -93.6985 -93.6981 -93.6981 -33.3520 -33.3520 -14.6798 -14.6798 -14.3282 -14.3282 -14.2776 -14.2776 -3.9672 -3.9672 -3.3722 -3.3722 2.9683 2.9683 3.2445 3.2445 4.5133 4.5133 5.0678 5.0678 5.4874 5.4874 6.3774 6.3774 9.0018 9.0018 9.9288 9.9288 10.0689 10.0689 10.9053 10.9053 k = 0.2872 0.1658 0.2844 ( 7372 PWs) bands (ev): -93.6985 -93.6985 -93.6981 -93.6981 -33.3516 -33.3516 -14.6815 -14.6815 -14.3303 -14.3303 -14.2787 -14.2787 -3.9321 -3.9321 -3.3387 -3.3387 2.8925 2.8925 3.1812 3.1812 4.4571 4.4571 5.0226 5.0226 5.5142 5.5142 6.3542 6.3542 8.9470 8.9470 9.8696 9.8696 10.0282 10.0282 10.9064 10.9064 k = 0.2979 0.1720 0.2844 ( 7368 PWs) bands (ev): -93.6985 -93.6985 -93.6981 -93.6981 -33.3512 -33.3512 -14.6833 -14.6833 -14.3324 -14.3324 -14.2797 -14.2797 -3.8966 -3.8966 -3.3055 -3.3055 2.8112 2.8112 3.1204 3.1204 4.4096 4.4096 4.9791 4.9791 5.5415 5.5415 6.3314 6.3314 8.8931 8.8931 9.7971 9.7971 10.0073 10.0073 10.9064 10.9064 k = 0.3085 0.1781 0.2844 ( 7358 PWs) bands (ev): -93.6985 -93.6985 -93.6982 -93.6982 -33.3508 -33.3508 -14.6850 -14.6850 -14.3345 -14.3345 -14.2806 -14.2806 -3.8609 -3.8609 -3.2727 -3.2727 2.7279 2.7279 3.0594 3.0594 4.3704 4.3704 4.9374 4.9374 5.5687 5.5687 6.3093 6.3093 8.8404 8.8404 9.7206 9.7206 9.9973 9.9973 10.9054 10.9054 k = 0.3191 0.1843 0.2844 ( 7356 PWs) bands (ev): -93.6985 -93.6985 -93.6982 -93.6982 -33.3504 -33.3504 -14.6868 -14.6868 -14.3366 -14.3366 -14.2813 -14.2813 -3.8251 -3.8251 -3.2407 -3.2407 2.6451 2.6451 2.9968 2.9968 4.3392 4.3392 4.8978 4.8978 5.5957 5.5957 6.2879 6.2879 8.7889 8.7889 9.6451 9.6451 9.9937 9.9937 10.9034 10.9035 k = 0.3298 0.1904 0.2844 ( 7358 PWs) bands (ev): -93.6985 -93.6985 -93.6982 -93.6982 -33.3500 -33.3500 -14.6885 -14.6885 -14.3387 -14.3387 -14.2820 -14.2820 -3.7893 -3.7893 -3.2095 -3.2095 2.5643 2.5643 2.9322 2.9322 4.3150 4.3150 4.8602 4.8602 5.6221 5.6221 6.2673 6.2673 8.7384 8.7384 9.5726 9.5726 9.9947 9.9947 10.9005 10.9006 k = 0.3404 0.1965 0.2844 ( 7358 PWs) bands (ev): -93.6985 -93.6985 -93.6982 -93.6982 -33.3497 -33.3497 -14.6903 -14.6903 -14.3407 -14.3407 -14.2826 -14.2826 -3.7538 -3.7538 -3.1793 -3.1793 2.4867 2.4867 2.8658 2.8658 4.2972 4.2972 4.8246 4.8246 5.6478 5.6478 6.2477 6.2477 8.6891 8.6891 9.5043 9.5043 9.9995 9.9995 10.8949 10.8952 k = 0.3511 0.2027 0.2844 ( 7354 PWs) bands (ev): -93.6985 -93.6985 -93.6982 -93.6982 -33.3493 -33.3493 -14.6919 -14.6919 -14.3427 -14.3427 -14.2831 -14.2831 -3.7187 -3.7187 -3.1504 -3.1504 2.4131 2.4131 2.7982 2.7982 4.2847 4.2847 4.7913 4.7913 5.6724 5.6724 6.2292 6.2292 8.6409 8.6409 9.4410 9.4410 10.0078 10.0078 10.8738 10.8738 k = 0.3617 0.2088 0.2844 ( 7354 PWs) bands (ev): -93.6985 -93.6985 -93.6982 -93.6982 -33.3490 -33.3490 -14.6936 -14.6936 -14.3445 -14.3445 -14.2835 -14.2835 -3.6843 -3.6843 -3.1228 -3.1228 2.3439 2.3439 2.7302 2.7302 4.2766 4.2766 4.7602 4.7602 5.6958 5.6958 6.2118 6.2118 8.5938 8.5938 9.3828 9.3828 10.0190 10.0190 10.8489 10.8489 k = 0.3723 0.2150 0.2844 ( 7346 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3487 -33.3487 -14.6951 -14.6951 -14.3463 -14.3463 -14.2838 -14.2838 -3.6507 -3.6507 -3.0969 -3.0969 2.2797 2.2797 2.6625 2.6625 4.2721 4.2721 4.7313 4.7313 5.7179 5.7179 6.1957 6.1957 8.5481 8.5481 9.3301 9.3301 10.0331 10.0331 10.8239 10.8239 k = 0.3830 0.2211 0.2844 ( 7358 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3484 -33.3484 -14.6966 -14.6966 -14.3480 -14.3480 -14.2842 -14.2842 -3.6183 -3.6183 -3.0727 -3.0727 2.2208 2.2208 2.5960 2.5960 4.2704 4.2704 4.7047 4.7047 5.7385 5.7385 6.1808 6.1808 8.5039 8.5039 9.2830 9.2830 10.0498 10.0498 10.7991 10.7991 k = 0.3936 0.2273 0.2844 ( 7356 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3481 -33.3481 -14.6980 -14.6980 -14.3495 -14.3495 -14.2844 -14.2844 -3.5874 -3.5874 -3.0503 -3.0503 2.1676 2.1676 2.5315 2.5315 4.2707 4.2707 4.6804 4.6804 5.7575 5.7575 6.1674 6.1674 8.4614 8.4614 9.2412 9.2412 10.0688 10.0688 10.7745 10.7745 k = 0.4043 0.2334 0.2844 ( 7356 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3478 -33.3478 -14.6993 -14.6993 -14.3510 -14.3510 -14.2846 -14.2846 -3.5580 -3.5580 -3.0300 -3.0300 2.1201 2.1201 2.4696 2.4696 4.2726 4.2726 4.6585 4.6585 5.7747 5.7747 6.1553 6.1553 8.4212 8.4212 9.2048 9.2048 10.0897 10.0897 10.7502 10.7502 k = 0.4149 0.2395 0.2844 ( 7368 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3476 -33.3476 -14.7005 -14.7005 -14.3523 -14.3523 -14.2848 -14.2848 -3.5307 -3.5307 -3.0117 -3.0117 2.0785 2.0785 2.4111 2.4111 4.2754 4.2754 4.6389 4.6389 5.7901 5.7901 6.1447 6.1447 8.3835 8.3835 9.1733 9.1733 10.1122 10.1122 10.7262 10.7262 k = 0.4255 0.2457 0.2844 ( 7364 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3474 -33.3474 -14.7016 -14.7016 -14.3534 -14.3534 -14.2849 -14.2849 -3.5056 -3.5056 -2.9956 -2.9956 2.0429 2.0429 2.3566 2.3566 4.2788 4.2788 4.6217 4.6217 5.8037 5.8037 6.1355 6.1355 8.3488 8.3488 9.1465 9.1465 10.1357 10.1357 10.7027 10.7028 k = 0.4362 0.2518 0.2844 ( 7376 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3472 -33.3472 -14.7025 -14.7025 -14.3544 -14.3544 -14.2851 -14.2851 -3.4831 -3.4831 -2.9816 -2.9816 2.0132 2.0132 2.3070 2.3070 4.2823 4.2823 4.6068 4.6068 5.8154 5.8154 6.1278 6.1278 8.3176 8.3176 9.1240 9.1240 10.1597 10.1597 10.6800 10.6800 k = 0.4468 0.2580 0.2844 ( 7376 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3471 -33.3471 -14.7034 -14.7034 -14.3553 -14.3553 -14.2852 -14.2852 -3.4634 -3.4634 -2.9699 -2.9699 1.9893 1.9893 2.2629 2.2629 4.2857 4.2857 4.5943 4.5943 5.8252 5.8252 6.1215 6.1215 8.2904 8.2904 9.1057 9.1057 10.1833 10.1833 10.6583 10.6584 k = 0.4574 0.2641 0.2844 ( 7372 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3470 -33.3470 -14.7040 -14.7040 -14.3560 -14.3560 -14.2852 -14.2852 -3.4468 -3.4468 -2.9604 -2.9604 1.9708 1.9708 2.2250 2.2250 4.2888 4.2888 4.5842 4.5842 5.8331 5.8331 6.1165 6.1165 8.2675 8.2675 9.0910 9.0910 10.2056 10.2056 10.6384 10.6384 k = 0.4681 0.2702 0.2844 ( 7356 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3469 -33.3469 -14.7046 -14.7046 -14.3566 -14.3566 -14.2853 -14.2853 -3.4337 -3.4337 -2.9530 -2.9530 1.9574 1.9574 2.1942 2.1942 4.2914 4.2914 4.5763 4.5763 5.8392 5.8392 6.1127 6.1127 8.2493 8.2493 9.0800 9.0800 10.2253 10.2253 10.6209 10.6209 k = 0.4787 0.2764 0.2844 ( 7346 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3468 -33.3468 -14.7050 -14.7050 -14.3570 -14.3570 -14.2853 -14.2853 -3.4241 -3.4241 -2.9477 -2.9477 1.9484 1.9484 2.1714 2.1714 4.2933 4.2933 4.5707 4.5707 5.8435 5.8435 6.1101 6.1101 8.2361 8.2361 9.0722 9.0722 10.2410 10.2410 10.6070 10.6070 k = 0.4894 0.2825 0.2844 ( 7350 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3468 -33.3468 -14.7052 -14.7052 -14.3572 -14.3572 -14.2853 -14.2853 -3.4183 -3.4183 -2.9446 -2.9446 1.9434 1.9434 2.1573 2.1573 4.2944 4.2944 4.5674 4.5674 5.8461 5.8461 6.1086 6.1086 8.2281 8.2281 9.0676 9.0676 10.2513 10.2513 10.5980 10.5980 k = 0.5000 0.2887 0.2844 ( 7356 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3467 -33.3467 -14.7053 -14.7053 -14.3573 -14.3573 -14.2853 -14.2853 -3.4163 -3.4163 -2.9436 -2.9436 1.9418 1.9418 2.1525 2.1525 4.2948 4.2948 4.5663 4.5663 5.8469 5.8469 6.1081 6.1081 8.2254 8.2254 9.0661 9.0661 10.2549 10.2549 10.5948 10.5948 k = 0.5000 0.2887 0.2844 ( 7356 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3467 -33.3467 -14.7053 -14.7053 -14.3573 -14.3573 -14.2853 -14.2853 -3.4163 -3.4163 -2.9436 -2.9436 1.9418 1.9418 2.1525 2.1525 4.2948 4.2948 4.5663 4.5663 5.8469 5.8469 6.1081 6.1081 8.2254 8.2254 9.0661 9.0661 10.2549 10.2549 10.5948 10.5948 k = 0.4940 0.2990 0.2844 ( 7358 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3467 -33.3467 -14.7053 -14.7053 -14.3573 -14.3573 -14.2854 -14.2854 -3.4157 -3.4157 -2.9435 -2.9435 1.9427 1.9427 2.1535 2.1535 4.2954 4.2954 4.5608 4.5608 5.8449 5.8449 6.0999 6.0999 8.2313 8.2313 9.0729 9.0729 10.2541 10.2541 10.6014 10.6014 k = 0.4881 0.3093 0.2844 ( 7354 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3467 -33.3467 -14.7052 -14.7052 -14.3572 -14.3572 -14.2857 -14.2857 -3.4136 -3.4136 -2.9433 -2.9433 1.9455 1.9455 2.1565 2.1565 4.2969 4.2969 4.5448 4.5448 5.8384 5.8384 6.0762 6.0762 8.2485 8.2486 9.0932 9.0932 10.2522 10.2522 10.6210 10.6210 k = 0.4821 0.3196 0.2844 ( 7350 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3467 -33.3467 -14.7052 -14.7052 -14.3571 -14.3571 -14.2861 -14.2861 -3.4103 -3.4103 -2.9430 -2.9430 1.9501 1.9501 2.1615 2.1615 4.2990 4.2990 4.5188 4.5188 5.8269 5.8269 6.0388 6.0388 8.2762 8.2762 9.1260 9.1260 10.2498 10.2498 10.6533 10.6533 k = 0.4762 0.3299 0.2844 ( 7358 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3467 -33.3467 -14.7052 -14.7052 -14.3569 -14.3569 -14.2867 -14.2867 -3.4056 -3.4056 -2.9425 -2.9425 1.9566 1.9566 2.1685 2.1685 4.3010 4.3010 4.4845 4.4845 5.8082 5.8082 5.9916 5.9916 8.3126 8.3126 9.1701 9.1701 10.2481 10.2481 10.6981 10.6981 k = 0.4702 0.3402 0.2844 ( 7354 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3466 -33.3466 -14.7051 -14.7051 -14.3567 -14.3567 -14.2875 -14.2875 -3.3997 -3.3997 -2.9420 -2.9420 1.9649 1.9649 2.1774 2.1774 4.3006 4.3006 4.4450 4.4450 5.7787 5.7787 5.9406 5.9406 8.3561 8.3561 9.2235 9.2235 10.2487 10.2487 10.7545 10.7545 k = 0.4643 0.3505 0.2844 ( 7354 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3466 -33.3466 -14.7051 -14.7051 -14.3564 -14.3564 -14.2884 -14.2884 -3.3925 -3.3925 -2.9414 -2.9414 1.9750 1.9750 2.1882 2.1882 4.2916 4.2916 4.4071 4.4071 5.7328 5.7328 5.8934 5.8934 8.4049 8.4049 9.2837 9.2837 10.2536 10.2536 10.8218 10.8218 k = 0.4583 0.3608 0.2844 ( 7354 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3465 -33.3465 -14.7050 -14.7050 -14.3561 -14.3561 -14.2894 -14.2894 -3.3840 -3.3840 -2.9409 -2.9409 1.9869 1.9869 2.2009 2.2009 4.2624 4.2624 4.3838 4.3838 5.6680 5.6680 5.8548 5.8548 8.4576 8.4576 9.3474 9.3474 10.2650 10.2650 10.8989 10.8989 k = 0.4524 0.3712 0.2844 ( 7358 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3465 -33.3465 -14.7049 -14.7049 -14.3558 -14.3558 -14.2906 -14.2906 -3.3743 -3.3743 -2.9403 -2.9403 2.0007 2.0007 2.2152 2.2152 4.2103 4.2103 4.3785 4.3785 5.5883 5.5883 5.8230 5.8230 8.5129 8.5129 9.4111 9.4111 10.2857 10.2857 10.9845 10.9845 k = 0.4464 0.3815 0.2844 ( 7370 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3464 -33.3464 -14.7049 -14.7049 -14.3554 -14.3554 -14.2918 -14.2918 -3.3634 -3.3634 -2.9398 -2.9398 2.0162 2.0162 2.2313 2.2313 4.1445 4.1445 4.3829 4.3829 5.4996 5.4996 5.7942 5.7942 8.5699 8.5699 9.4704 9.4704 10.3187 10.3187 11.0769 11.0769 k = 0.4405 0.3918 0.2844 ( 7366 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3463 -33.3463 -14.7048 -14.7048 -14.3550 -14.3550 -14.2932 -14.2932 -3.3515 -3.3515 -2.9394 -2.9394 2.0335 2.0335 2.2489 2.2489 4.0715 4.0715 4.3911 4.3911 5.4061 5.4061 5.7660 5.7660 8.6278 8.6278 9.5218 9.5218 10.3665 10.3665 11.1742 11.1742 k = 0.4345 0.4021 0.2844 ( 7366 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3463 -33.3463 -14.7047 -14.7047 -14.3546 -14.3546 -14.2947 -14.2947 -3.3384 -3.3384 -2.9392 -2.9392 2.0525 2.0525 2.2679 2.2679 3.9942 3.9942 4.4007 4.4007 5.3110 5.3110 5.7372 5.7372 8.6862 8.6862 9.5626 9.5626 10.4302 10.4302 11.2738 11.2738 k = 0.4286 0.4124 0.2844 ( 7370 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3462 -33.3462 -14.7047 -14.7047 -14.3541 -14.3541 -14.2962 -14.2962 -3.3244 -3.3244 -2.9392 -2.9392 2.0732 2.0732 2.2882 2.2882 3.9142 3.9142 4.4099 4.4099 5.2170 5.2170 5.7075 5.7075 8.7446 8.7446 9.5918 9.5918 10.5093 10.5093 11.3729 11.3729 k = 0.4226 0.4227 0.2844 ( 7360 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3461 -33.3461 -14.7046 -14.7046 -14.3536 -14.3536 -14.2978 -14.2978 -3.3094 -3.3094 -2.9395 -2.9395 2.0956 2.0956 2.3095 2.3095 3.8329 3.8329 4.4171 4.4171 5.1267 5.1267 5.6765 5.6765 8.8027 8.8027 9.6103 9.6103 10.6013 10.6013 11.4682 11.4682 k = 0.4167 0.4330 0.2844 ( 7352 PWs) bands (ev): -93.6984 -93.6984 -93.6983 -93.6983 -33.3460 -33.3460 -14.7046 -14.7046 -14.3532 -14.3532 -14.2994 -14.2994 -3.2935 -3.2935 -2.9403 -2.9403 2.1196 2.1196 2.3318 2.3318 3.7511 3.7511 4.4200 4.4200 5.0433 5.0433 5.6442 5.6442 8.8605 8.8605 9.6197 9.6197 10.7029 10.7029 11.5559 11.5559 k = 0.4107 0.4433 0.2844 ( 7348 PWs) bands (ev): -93.6984 -93.6984 -93.6983 -93.6983 -33.3459 -33.3459 -14.7045 -14.7045 -14.3527 -14.3527 -14.3010 -14.3010 -3.2769 -3.2769 -2.9415 -2.9415 2.1451 2.1451 2.3547 2.3547 3.6696 3.6696 4.4156 4.4156 4.9707 4.9707 5.6107 5.6107 8.9176 8.9176 9.6219 9.6219 10.8106 10.8106 11.6311 11.6311 k = 0.4048 0.4536 0.2844 ( 7340 PWs) bands (ev): -93.6984 -93.6984 -93.6983 -93.6983 -33.3458 -33.3458 -14.7045 -14.7045 -14.3522 -14.3522 -14.3026 -14.3026 -3.2595 -3.2595 -2.9432 -2.9432 2.1721 2.1721 2.3779 2.3779 3.5892 3.5892 4.4004 4.4004 4.9130 4.9130 5.5761 5.5761 8.9739 8.9739 9.6187 9.6187 10.9213 10.9213 11.6896 11.6896 k = 0.3988 0.4639 0.2844 ( 7348 PWs) bands (ev): -93.6984 -93.6984 -93.6983 -93.6983 -33.3457 -33.3457 -14.7045 -14.7045 -14.3517 -14.3517 -14.3041 -14.3041 -3.2416 -3.2416 -2.9456 -2.9456 2.2004 2.2004 2.4011 2.4011 3.5106 3.5106 4.3720 4.3720 4.8737 4.8737 5.5403 5.5403 9.0292 9.0292 9.6116 9.6116 11.0322 11.0322 11.7294 11.7294 k = 0.3929 0.4743 0.2844 ( 7344 PWs) bands (ev): -93.6984 -93.6984 -93.6983 -93.6983 -33.3457 -33.3457 -14.7045 -14.7045 -14.3513 -14.3513 -14.3056 -14.3056 -3.2231 -3.2231 -2.9488 -2.9488 2.2299 2.2299 2.4239 2.4239 3.4344 3.4344 4.3305 4.3305 4.8534 4.8534 5.5036 5.5036 9.0832 9.0832 9.6015 9.6015 11.1414 11.1414 11.7513 11.7513 k = 0.3869 0.4846 0.2844 ( 7352 PWs) bands (ev): -93.6984 -93.6984 -93.6983 -93.6983 -33.3456 -33.3456 -14.7045 -14.7045 -14.3509 -14.3509 -14.3070 -14.3070 -3.2043 -3.2043 -2.9527 -2.9527 2.2605 2.2605 2.4459 2.4459 3.3611 3.3611 4.2791 4.2791 4.8494 4.8494 5.4661 5.4661 9.1355 9.1355 9.5893 9.5893 11.2476 11.2476 11.7581 11.7581 k = 0.3810 0.4949 0.2844 ( 7352 PWs) bands (ev): -93.6984 -93.6984 -93.6983 -93.6983 -33.3455 -33.3455 -14.7045 -14.7045 -14.3505 -14.3505 -14.3084 -14.3084 -3.1852 -3.1852 -2.9575 -2.9575 2.2918 2.2918 2.4666 2.4666 3.2914 3.2914 4.2226 4.2226 4.8580 4.8580 5.4278 5.4278 9.1859 9.1859 9.5757 9.5757 11.3495 11.3495 11.7538 11.7538 k = 0.3750 0.5052 0.2844 ( 7348 PWs) bands (ev): -93.6983 -93.6983 -93.6983 -93.6983 -33.3454 -33.3454 -14.7045 -14.7045 -14.3502 -14.3502 -14.3096 -14.3096 -3.1659 -3.1659 -2.9633 -2.9633 2.3235 2.3235 2.4854 2.4854 3.2259 3.2259 4.1652 4.1652 4.8756 4.8756 5.3890 5.3890 9.2337 9.2337 9.5612 9.5612 11.4463 11.4463 11.7422 11.7422 k = 0.3690 0.5155 0.2844 ( 7352 PWs) bands (ev): -93.6983 -93.6983 -93.6983 -93.6983 -33.3454 -33.3454 -14.7046 -14.7046 -14.3499 -14.3499 -14.3106 -14.3106 -3.1466 -3.1466 -2.9703 -2.9703 2.3552 2.3552 2.5019 2.5019 3.1654 3.1654 4.1105 4.1105 4.8996 4.8996 5.3497 5.3497 9.2786 9.2786 9.5460 9.5460 11.5369 11.5369 11.7264 11.7264 k = 0.3631 0.5258 0.2844 ( 7352 PWs) bands (ev): -93.6983 -93.6983 -93.6983 -93.6983 -33.3453 -33.3453 -14.7046 -14.7046 -14.3496 -14.3496 -14.3115 -14.3115 -3.1274 -3.1274 -2.9783 -2.9783 2.3860 2.3860 2.5156 2.5156 3.1107 3.1107 4.0609 4.0609 4.9282 4.9282 5.3100 5.3100 9.3201 9.3201 9.5306 9.5306 11.6194 11.6194 11.7096 11.7096 k = 0.3571 0.5361 0.2844 ( 7348 PWs) bands (ev): -93.6983 -93.6983 -93.6983 -93.6983 -33.3453 -33.3453 -14.7046 -14.7046 -14.3495 -14.3495 -14.3123 -14.3123 -3.1085 -3.1085 -2.9876 -2.9876 2.4150 2.4150 2.5262 2.5262 3.0627 3.0627 4.0183 4.0183 4.9602 4.9602 5.2702 5.2702 9.3574 9.3574 9.5151 9.5151 11.6819 11.6819 11.7036 11.7036 k = 0.3512 0.5464 0.2844 ( 7352 PWs) bands (ev): -93.6983 -93.6983 -93.6983 -93.6983 -33.3452 -33.3452 -14.7047 -14.7047 -14.3494 -14.3494 -14.3128 -14.3128 -3.0901 -3.0901 -2.9983 -2.9983 2.4407 2.4407 2.5336 2.5336 3.0228 3.0228 3.9842 3.9842 4.9947 4.9947 5.2303 5.2303 9.3902 9.3902 9.4998 9.4998 11.6750 11.6750 11.7562 11.7562 k = 0.3452 0.5567 0.2844 ( 7356 PWs) bands (ev): -93.6983 -93.6983 -93.6983 -93.6983 -33.3452 -33.3452 -14.7047 -14.7047 -14.3493 -14.3493 -14.3133 -14.3133 -3.0722 -3.0722 -3.0103 -3.0103 2.4611 2.4611 2.5384 2.5384 2.9924 2.9924 3.9594 3.9594 5.0311 5.0311 5.1905 5.1905 9.4178 9.4178 9.4848 9.4848 11.6641 11.6641 11.8003 11.8003 k = 0.3393 0.5670 0.2844 ( 7342 PWs) bands (ev): -93.6983 -93.6983 -93.6983 -93.6983 -33.3452 -33.3452 -14.7047 -14.7047 -14.3492 -14.3492 -14.3135 -14.3135 -3.0550 -3.0550 -3.0238 -3.0238 2.4740 2.4740 2.5411 2.5411 2.9733 2.9733 3.9444 3.9444 5.0683 5.0683 5.1514 5.1514 9.4400 9.4400 9.4703 9.4703 11.6571 11.6571 11.8265 11.8265 k = 0.3333 0.5774 0.2844 ( 7338 PWs) bands (ev): -93.6983 -93.6983 -93.6983 -93.6983 -33.3452 -33.3452 -14.7048 -14.7048 -14.3492 -14.3492 -14.3136 -14.3136 -3.0397 -3.0397 -3.0378 -3.0378 2.4783 2.4783 2.5421 2.5421 2.9668 2.9668 3.9395 3.9395 5.0968 5.0968 5.1223 5.1223 9.4563 9.4563 9.4566 9.4566 11.6547 11.6547 11.8348 11.8348 k = 0.3333 0.5774 0.2844 ( 7338 PWs) bands (ev): -93.6983 -93.6983 -93.6983 -93.6983 -33.3452 -33.3452 -14.7048 -14.7048 -14.3492 -14.3492 -14.3136 -14.3136 -3.0397 -3.0397 -3.0378 -3.0378 2.4783 2.4783 2.5421 2.5421 2.9668 2.9668 3.9395 3.9395 5.0968 5.0968 5.1223 5.1223 9.4563 9.4563 9.4566 9.4566 11.6547 11.6547 11.8348 11.8348 k = 0.3273 0.5669 0.2844 ( 7346 PWs) bands (ev): -93.6983 -93.6983 -93.6983 -93.6983 -33.3452 -33.3452 -14.7047 -14.7047 -14.3492 -14.3492 -14.3135 -14.3135 -3.0556 -3.0556 -3.0233 -3.0233 2.4745 2.4745 2.5408 2.5408 2.9735 2.9735 3.9445 3.9445 5.0673 5.0673 5.1523 5.1523 9.4431 9.4431 9.4672 9.4672 11.6572 11.6572 11.8275 11.8275 k = 0.3212 0.5564 0.2844 ( 7346 PWs) bands (ev): -93.6983 -93.6983 -93.6983 -93.6983 -33.3452 -33.3452 -14.7047 -14.7047 -14.3492 -14.3492 -14.3133 -14.3133 -3.0740 -3.0740 -3.0092 -3.0092 2.4647 2.4647 2.5368 2.5368 2.9927 2.9927 3.9591 3.9591 5.0283 5.0283 5.1927 5.1927 9.4307 9.4307 9.4720 9.4720 11.6641 11.6641 11.8085 11.8085 k = 0.3152 0.5459 0.2844 ( 7342 PWs) bands (ev): -93.6983 -93.6983 -93.6983 -93.6983 -33.3452 -33.3452 -14.7046 -14.7046 -14.3492 -14.3492 -14.3129 -14.3129 -3.0941 -3.0941 -2.9965 -2.9965 2.4512 2.4512 2.5308 2.5308 3.0227 3.0227 3.9825 3.9825 4.9892 4.9892 5.2338 5.2338 9.4193 9.4193 9.4713 9.4713 11.6744 11.6744 11.7818 11.7818 k = 0.3091 0.5354 0.2844 ( 7344 PWs) bands (ev): -93.6983 -93.6983 -93.6983 -93.6983 -33.3453 -33.3453 -14.7045 -14.7045 -14.3492 -14.3492 -14.3124 -14.3124 -3.1158 -3.1158 -2.9855 -2.9855 2.4356 2.4356 2.5243 2.5243 3.0612 3.0612 4.0138 4.0138 4.9505 4.9505 5.2749 5.2749 9.4090 9.4090 9.4656 9.4656 11.6860 11.6860 11.7510 11.7510 k = 0.3030 0.5249 0.2844 ( 7340 PWs) bands (ev): -93.6983 -93.6983 -93.6983 -93.6983 -33.3453 -33.3453 -14.7043 -14.7043 -14.3491 -14.3491 -14.3119 -14.3119 -3.1391 -3.1391 -2.9763 -2.9763 2.4194 2.4194 2.5187 2.5187 3.1064 3.1064 4.0524 4.0524 4.9124 4.9124 5.3156 5.3156 9.4000 9.4000 9.4557 9.4557 11.6938 11.6938 11.7215 11.7215 k = 0.2970 0.5144 0.2844 ( 7332 PWs) bands (ev): -93.6983 -93.6983 -93.6983 -93.6983 -33.3454 -33.3454 -14.7041 -14.7041 -14.3489 -14.3489 -14.3112 -14.3112 -3.1640 -3.1640 -2.9690 -2.9690 2.4038 2.4038 2.5152 2.5152 3.1568 3.1568 4.0972 4.0972 4.8751 4.8751 5.3555 5.3555 9.3923 9.3923 9.4425 9.4425 11.6758 11.6758 11.7137 11.7137 k = 0.2909 0.5039 0.2844 ( 7328 PWs) bands (ev): -93.6984 -93.6984 -93.6983 -93.6983 -33.3455 -33.3455 -14.7038 -14.7038 -14.3487 -14.3487 -14.3104 -14.3104 -3.1905 -3.1905 -2.9638 -2.9638 2.3899 2.3899 2.5146 2.5146 3.2115 3.2115 4.1475 4.1475 4.8387 4.8387 5.3943 5.3943 9.3862 9.3862 9.4268 9.4268 11.6435 11.6435 11.7139 11.7139 k = 0.2848 0.4934 0.2844 ( 7332 PWs) bands (ev): -93.6984 -93.6984 -93.6983 -93.6983 -33.3457 -33.3457 -14.7034 -14.7034 -14.3484 -14.3484 -14.3096 -14.3096 -3.2185 -3.2185 -2.9608 -2.9608 2.3786 2.3786 2.5174 2.5174 3.2696 3.2696 4.2026 4.2026 4.8033 4.8033 5.4318 5.4318 9.3815 9.3815 9.4097 9.4097 11.6108 11.6108 11.7057 11.7057 k = 0.2788 0.4829 0.2844 ( 7336 PWs) bands (ev): -93.6984 -93.6984 -93.6983 -93.6983 -33.3458 -33.3458 -14.7030 -14.7030 -14.3481 -14.3481 -14.3087 -14.3087 -3.2478 -3.2478 -2.9602 -2.9602 2.3707 2.3707 2.5238 2.5238 3.3306 3.3306 4.2619 4.2619 4.7691 4.7691 5.4675 5.4675 9.3785 9.3785 9.3922 9.3922 11.5794 11.5794 11.6857 11.6857 k = 0.2727 0.4724 0.2844 ( 7336 PWs) bands (ev): -93.6984 -93.6984 -93.6983 -93.6983 -33.3460 -33.3460 -14.7025 -14.7025 -14.3476 -14.3476 -14.3077 -14.3077 -3.2786 -3.2786 -2.9619 -2.9619 2.3668 2.3668 2.5340 2.5340 3.3941 3.3941 4.3248 4.3248 4.7362 4.7362 5.5011 5.5011 9.3749 9.3749 9.3775 9.3775 11.5498 11.5498 11.6536 11.6536 k = 0.2667 0.4619 0.2844 ( 7336 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3461 -33.3461 -14.7019 -14.7019 -14.3471 -14.3471 -14.3067 -14.3067 -3.3106 -3.3106 -2.9661 -2.9661 2.3673 2.3673 2.5480 2.5480 3.4598 3.4598 4.3907 4.3907 4.7050 4.7050 5.5323 5.5323 9.3594 9.3594 9.3781 9.3781 11.5222 11.5222 11.6110 11.6110 k = 0.2606 0.4514 0.2844 ( 7336 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3463 -33.3463 -14.7012 -14.7012 -14.3464 -14.3464 -14.3057 -14.3057 -3.3438 -3.3438 -2.9727 -2.9727 2.3728 2.3728 2.5659 2.5659 3.5274 3.5274 4.4590 4.4590 4.6757 4.6757 5.5608 5.5608 9.3461 9.3461 9.3807 9.3807 11.4965 11.4965 11.5606 11.5606 k = 0.2545 0.4409 0.2844 ( 7344 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3466 -33.3466 -14.7004 -14.7004 -14.3457 -14.3457 -14.3046 -14.3046 -3.3780 -3.3780 -2.9818 -2.9818 2.3835 2.3835 2.5874 2.5874 3.5967 3.5967 4.5283 4.5283 4.6497 4.6497 5.5864 5.5864 9.3356 9.3356 9.3854 9.3854 11.4712 11.4712 11.5065 11.5065 k = 0.2485 0.4304 0.2844 ( 7344 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3468 -33.3468 -14.6996 -14.6996 -14.3448 -14.3448 -14.3035 -14.3035 -3.4132 -3.4132 -2.9934 -2.9934 2.3996 2.3996 2.6124 2.6124 3.6675 3.6675 4.5881 4.5881 4.6374 4.6374 5.6087 5.6087 9.3288 9.3288 9.3922 9.3922 11.4330 11.4330 11.4638 11.4638 k = 0.2424 0.4199 0.2844 ( 7350 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3471 -33.3471 -14.6986 -14.6986 -14.3439 -14.3439 -14.3023 -14.3023 -3.4492 -3.4492 -3.0074 -3.0074 2.4212 2.4212 2.6407 2.6407 3.7396 3.7396 4.5886 4.5886 4.6883 4.6883 5.6277 5.6277 9.3262 9.3262 9.4013 9.4013 11.3740 11.3740 11.4417 11.4417 k = 0.2364 0.4094 0.2844 ( 7348 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3473 -33.3473 -14.6976 -14.6976 -14.3429 -14.3429 -14.3011 -14.3011 -3.4859 -3.4859 -3.0237 -3.0237 2.4485 2.4485 2.6720 2.6720 3.8127 3.8127 4.5706 4.5706 4.7619 4.7619 5.6432 5.6432 9.3282 9.3282 9.4127 9.4127 11.3105 11.3105 11.4251 11.4251 k = 0.2303 0.3989 0.2844 ( 7348 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3476 -33.3476 -14.6965 -14.6965 -14.3418 -14.3418 -14.2999 -14.2999 -3.5232 -3.5232 -3.0422 -3.0422 2.4814 2.4814 2.7059 2.7059 3.8864 3.8864 4.5538 4.5538 4.8387 4.8387 5.6551 5.6551 9.3352 9.3352 9.4265 9.4265 11.2457 11.2457 11.4111 11.4111 k = 0.2242 0.3884 0.2844 ( 7342 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3479 -33.3479 -14.6953 -14.6953 -14.3407 -14.3407 -14.2986 -14.2986 -3.5610 -3.5610 -3.0629 -3.0629 2.5200 2.5200 2.7422 2.7422 3.9605 3.9605 4.5402 4.5402 4.9166 4.9166 5.6634 5.6634 9.3475 9.3475 9.4428 9.4428 11.1809 11.1809 11.3988 11.3988 k = 0.2182 0.3779 0.2844 ( 7338 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3482 -33.3482 -14.6940 -14.6940 -14.3394 -14.3394 -14.2973 -14.2973 -3.5991 -3.5991 -3.0855 -3.0855 2.5642 2.5642 2.7802 2.7802 4.0344 4.0344 4.5310 4.5310 4.9951 4.9951 5.6684 5.6684 9.3650 9.3650 9.4616 9.4616 11.1166 11.1166 11.3876 11.3876 k = 0.2121 0.3674 0.2844 ( 7326 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3486 -33.3486 -14.6927 -14.6927 -14.3381 -14.3381 -14.2959 -14.2959 -3.6375 -3.6375 -3.1100 -3.1100 2.6137 2.6137 2.8197 2.8197 4.1071 4.1071 4.5275 4.5275 5.0736 5.0736 5.6704 5.6704 9.3879 9.3879 9.4830 9.4830 11.0533 11.0533 11.3767 11.3767 k = 0.2061 0.3569 0.2844 ( 7340 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3489 -33.3489 -14.6912 -14.6912 -14.3367 -14.3367 -14.2946 -14.2946 -3.6760 -3.6760 -3.1362 -3.1362 2.6686 2.6686 2.8600 2.8600 4.1774 4.1774 4.5314 4.5314 5.1513 5.1513 5.6698 5.6698 9.4161 9.4161 9.5070 9.5070 10.9914 10.9914 11.3649 11.3650 k = 0.2000 0.3464 0.2844 ( 7344 PWs) bands (ev): -93.6985 -93.6985 -93.6982 -93.6982 -33.3493 -33.3493 -14.6898 -14.6898 -14.3353 -14.3353 -14.2931 -14.2931 -3.7144 -3.7144 -3.1638 -3.1638 2.7285 2.7285 2.9006 2.9006 4.2435 4.2435 4.5448 4.5448 5.2273 5.2273 5.6675 5.6675 9.4491 9.4491 9.5338 9.5338 10.9311 10.9311 11.3454 11.3455 k = 0.1939 0.3359 0.2844 ( 7354 PWs) bands (ev): -93.6985 -93.6985 -93.6982 -93.6982 -33.3497 -33.3497 -14.6883 -14.6883 -14.3338 -14.3338 -14.2916 -14.2916 -3.7528 -3.7528 -3.1928 -3.1928 2.7933 2.7933 2.9410 2.9410 4.3029 4.3029 4.5706 4.5706 5.3002 5.3002 5.6651 5.6651 9.4869 9.4869 9.5632 9.5632 10.8728 10.8728 11.2959 11.2959 k = 0.1879 0.3254 0.2844 ( 7370 PWs) bands (ev): -93.6985 -93.6985 -93.6982 -93.6982 -33.3501 -33.3501 -14.6867 -14.6867 -14.3322 -14.3322 -14.2901 -14.2901 -3.7909 -3.7909 -3.2229 -3.2229 2.8625 2.8625 2.9805 2.9805 4.3542 4.3542 4.6108 4.6108 5.3671 5.3671 5.6655 5.6655 9.5287 9.5287 9.5954 9.5954 10.8167 10.8167 11.2480 11.2480 k = 0.1818 0.3149 0.2844 ( 7358 PWs) bands (ev): -93.6985 -93.6985 -93.6982 -93.6982 -33.3505 -33.3505 -14.6851 -14.6851 -14.3307 -14.3307 -14.2885 -14.2885 -3.8288 -3.8288 -3.2540 -3.2540 2.9352 2.9352 3.0193 3.0193 4.3982 4.3982 4.6648 4.6648 5.4229 5.4229 5.6738 5.6738 9.5742 9.5742 9.6304 9.6304 10.7631 10.7631 11.2041 11.2041 k = 0.1758 0.3044 0.2844 ( 7358 PWs) bands (ev): -93.6985 -93.6985 -93.6982 -93.6982 -33.3509 -33.3509 -14.6835 -14.6835 -14.3291 -14.3291 -14.2868 -14.2868 -3.8662 -3.8662 -3.2858 -3.2858 3.0087 3.0087 3.0592 3.0592 4.4384 4.4384 4.7296 4.7296 5.4608 5.4608 5.6970 5.6970 9.6224 9.6224 9.6681 9.6681 10.7124 10.7124 11.1647 11.1647 k = 0.1697 0.2939 0.2844 ( 7358 PWs) bands (ev): -93.6985 -93.6985 -93.6981 -93.6981 -33.3513 -33.3513 -14.6819 -14.6819 -14.3275 -14.3275 -14.2851 -14.2851 -3.9030 -3.9030 -3.3183 -3.3183 3.0681 3.0681 3.1142 3.1142 4.4785 4.4785 4.8018 4.8018 5.4774 5.4774 5.7387 5.7387 9.6725 9.6725 9.7086 9.7086 10.6647 10.6647 11.1301 11.1301 k = 0.1636 0.2834 0.2844 ( 7366 PWs) bands (ev): -93.6985 -93.6985 -93.6981 -93.6981 -33.3517 -33.3517 -14.6803 -14.6803 -14.3259 -14.3259 -14.2833 -14.2833 -3.9393 -3.9393 -3.3511 -3.3511 3.1040 3.1040 3.1930 3.1930 4.5213 4.5213 4.8786 4.8786 5.4775 5.4775 5.7942 5.7942 9.7235 9.7235 9.7519 9.7519 10.6206 10.6206 11.1007 11.1007 k = 0.1576 0.2729 0.2844 ( 7366 PWs) bands (ev): -93.6985 -93.6985 -93.6981 -93.6981 -33.3521 -33.3521 -14.6787 -14.6787 -14.3244 -14.3244 -14.2814 -14.2814 -3.9749 -3.9749 -3.3842 -3.3842 3.1310 3.1310 3.2803 3.2803 4.5685 4.5685 4.9582 4.9582 5.4682 5.4682 5.8570 5.8570 9.7740 9.7740 9.7978 9.7978 10.5805 10.5805 11.0742 11.0742 k = 0.1515 0.2624 0.2844 ( 7372 PWs) bands (ev): -93.6985 -93.6985 -93.6981 -93.6981 -33.3525 -33.3525 -14.6771 -14.6771 -14.3228 -14.3228 -14.2794 -14.2794 -4.0097 -4.0097 -3.4173 -3.4173 3.1531 3.1531 3.3716 3.3716 4.6210 4.6210 5.0396 5.0396 5.4540 5.4540 5.9226 5.9226 9.8232 9.8232 9.8458 9.8458 10.5451 10.5451 11.0239 11.0239 k = 0.1455 0.2519 0.2844 ( 7378 PWs) bands (ev): -93.6985 -93.6985 -93.6981 -93.6981 -33.3530 -33.3530 -14.6755 -14.6755 -14.3213 -14.3213 -14.2774 -14.2774 -4.0436 -4.0436 -3.4503 -3.4503 3.1709 3.1709 3.4657 3.4657 4.6793 4.6793 5.1217 5.1217 5.4380 5.4380 5.9887 5.9887 9.8698 9.8698 9.8950 9.8950 10.5155 10.5155 10.9644 10.9644 k = 0.1394 0.2414 0.2844 ( 7380 PWs) bands (ev): -93.6985 -93.6985 -93.6981 -93.6981 -33.3534 -33.3534 -14.6740 -14.6740 -14.3198 -14.3198 -14.2753 -14.2753 -4.0767 -4.0767 -3.4831 -3.4831 3.1850 3.1850 3.5617 3.5617 4.7434 4.7434 5.2034 5.2034 5.4224 5.4224 6.0539 6.0539 9.9118 9.9118 9.9451 9.9451 10.4927 10.4927 10.9049 10.9049 k = 0.1333 0.2309 0.2844 ( 7380 PWs) bands (ev): -93.6985 -93.6985 -93.6981 -93.6981 -33.3538 -33.3538 -14.6725 -14.6725 -14.3184 -14.3184 -14.2732 -14.2732 -4.1088 -4.1088 -3.5155 -3.5155 3.1956 3.1956 3.6590 3.6590 4.8129 4.8129 5.2818 5.2818 5.4110 5.4110 6.1175 6.1175 9.9465 9.9465 9.9961 9.9961 10.4781 10.4781 10.8470 10.8470 k = 0.1273 0.2204 0.2844 ( 7380 PWs) bands (ev): -93.6985 -93.6985 -93.6981 -93.6981 -33.3542 -33.3542 -14.6710 -14.6710 -14.3170 -14.3170 -14.2709 -14.2709 -4.1398 -4.1398 -3.5474 -3.5474 3.2031 3.2031 3.7567 3.7567 4.8875 4.8875 5.3422 5.3422 5.4195 5.4195 6.1787 6.1787 9.9716 9.9716 10.0476 10.0476 10.4730 10.4730 10.7920 10.7920 k = 0.1212 0.2099 0.2844 ( 7372 PWs) bands (ev): -93.6985 -93.6985 -93.6981 -93.6981 -33.3546 -33.3546 -14.6696 -14.6696 -14.3157 -14.3157 -14.2686 -14.2686 -4.1697 -4.1697 -3.5786 -3.5786 3.2079 3.2079 3.8539 3.8539 4.9664 4.9664 5.3563 5.3563 5.4770 5.4770 6.2373 6.2373 9.9860 9.9860 10.0984 10.0984 10.4776 10.4776 10.7414 10.7414 k = 0.1152 0.1994 0.2844 ( 7380 PWs) bands (ev): -93.6985 -93.6985 -93.6981 -93.6981 -33.3550 -33.3550 -14.6683 -14.6683 -14.3145 -14.3145 -14.2663 -14.2663 -4.1984 -4.1984 -3.6090 -3.6090 3.2103 3.2103 3.9495 3.9495 5.0491 5.0491 5.3543 5.3543 5.5543 5.5543 6.2930 6.2930 9.9902 9.9902 10.1464 10.1464 10.4912 10.4912 10.6974 10.6974 k = 0.1091 0.1890 0.2844 ( 7384 PWs) bands (ev): -93.6985 -93.6985 -93.6981 -93.6981 -33.3554 -33.3554 -14.6670 -14.6670 -14.3133 -14.3133 -14.2640 -14.2640 -4.2260 -4.2260 -3.6385 -3.6385 3.2108 3.2108 4.0421 4.0421 5.1345 5.1345 5.3542 5.3542 5.6349 5.6349 6.3455 6.3455 9.9857 9.9857 10.1884 10.1884 10.5118 10.5118 10.6629 10.6629 k = 0.1030 0.1785 0.2844 ( 7388 PWs) bands (ev): -93.6985 -93.6985 -93.6981 -93.6981 -33.3558 -33.3558 -14.6658 -14.6658 -14.3122 -14.3122 -14.2616 -14.2616 -4.2523 -4.2523 -3.6670 -3.6670 3.2097 3.2097 4.1303 4.1303 5.2212 5.2212 5.3610 5.3610 5.7158 5.7158 6.3946 6.3946 9.9743 9.9743 10.2200 10.2200 10.5364 10.5364 10.6425 10.6425 k = 0.0970 0.1680 0.2844 ( 7390 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3562 -33.3562 -14.6646 -14.6646 -14.3112 -14.3112 -14.2592 -14.2592 -4.2773 -4.2773 -3.6944 -3.6944 3.2073 3.2073 4.2121 4.2121 5.3048 5.3048 5.3804 5.3804 5.7961 5.7961 6.4402 6.4402 9.9580 9.9580 10.2363 10.2363 10.5618 10.5618 10.6406 10.6406 k = 0.0909 0.1575 0.2844 ( 7398 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3565 -33.3565 -14.6635 -14.6635 -14.3103 -14.3103 -14.2569 -14.2569 -4.3010 -4.3010 -3.7206 -3.7206 3.2039 3.2039 4.2861 4.2861 5.3686 5.3686 5.4301 5.4301 5.8755 5.8755 6.4823 6.4823 9.9383 9.9383 10.2357 10.2357 10.5841 10.5841 10.6581 10.6581 k = 0.0848 0.1470 0.2844 ( 7398 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3569 -33.3569 -14.6625 -14.6625 -14.3094 -14.3094 -14.2546 -14.2546 -4.3233 -4.3233 -3.7454 -3.7454 3.1998 3.1998 4.3505 4.3505 5.4120 5.4120 5.5110 5.5110 5.9536 5.9536 6.5209 6.5209 9.9162 9.9162 10.2209 10.2209 10.5985 10.5985 10.6906 10.6906 k = 0.0788 0.1365 0.2844 ( 7398 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3572 -33.3572 -14.6616 -14.6616 -14.3086 -14.3086 -14.2523 -14.2523 -4.3442 -4.3442 -3.7689 -3.7689 3.1951 3.1951 4.4045 4.4045 5.4591 5.4591 5.5989 5.5989 6.0303 6.0303 6.5558 6.5558 9.8923 9.8923 10.1972 10.1972 10.5986 10.5986 10.7300 10.7300 k = 0.0727 0.1260 0.2844 ( 7402 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3575 -33.3575 -14.6607 -14.6607 -14.3079 -14.3079 -14.2501 -14.2501 -4.3636 -4.3636 -3.7910 -3.7910 3.1902 3.1902 4.4478 4.4478 5.5155 5.5155 5.6869 5.6869 6.1053 6.1053 6.5873 6.5873 9.8670 9.8670 10.1689 10.1689 10.5783 10.5783 10.7631 10.7631 k = 0.0667 0.1155 0.2844 ( 7410 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3578 -33.3578 -14.6600 -14.6600 -14.3072 -14.3072 -14.2480 -14.2480 -4.3816 -4.3816 -3.8115 -3.8115 3.1852 3.1852 4.4810 4.4810 5.5811 5.5811 5.7728 5.7728 6.1783 6.1783 6.6153 6.6153 9.8401 9.8401 10.1391 10.1391 10.5361 10.5361 10.7670 10.7670 k = 0.0606 0.1050 0.2844 ( 7402 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3580 -33.3580 -14.6593 -14.6593 -14.3066 -14.3066 -14.2461 -14.2461 -4.3981 -4.3981 -3.8304 -3.8304 3.1801 3.1801 4.5055 4.5055 5.6542 5.6542 5.8553 5.8553 6.2489 6.2489 6.6400 6.6400 9.8115 9.8115 10.1098 10.1098 10.4761 10.4761 10.7258 10.7258 k = 0.0545 0.0945 0.2844 ( 7406 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3583 -33.3583 -14.6586 -14.6586 -14.3061 -14.3061 -14.2442 -14.2442 -4.4131 -4.4131 -3.8477 -3.8477 3.1752 3.1752 4.5228 4.5228 5.7323 5.7323 5.9336 5.9336 6.3166 6.3166 6.6616 6.6616 9.7807 9.7807 10.0824 10.0824 10.4060 10.4060 10.6561 10.6561 k = 0.0485 0.0840 0.2844 ( 7394 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3585 -33.3585 -14.6581 -14.6581 -14.3056 -14.3056 -14.2425 -14.2425 -4.4266 -4.4266 -3.8633 -3.8633 3.1706 3.1706 4.5344 4.5344 5.8126 5.8126 6.0067 6.0067 6.3806 6.3806 6.6804 6.6804 9.7474 9.7474 10.0579 10.0579 10.3329 10.3329 10.5762 10.5762 k = 0.0424 0.0735 0.2844 ( 7382 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3587 -33.3587 -14.6576 -14.6576 -14.3052 -14.3052 -14.2410 -14.2410 -4.4385 -4.4385 -3.8772 -3.8772 3.1663 3.1663 4.5419 4.5419 5.8921 5.8921 6.0742 6.0742 6.4397 6.4397 6.6968 6.6968 9.7111 9.7111 10.0371 10.0371 10.2628 10.2628 10.4944 10.4944 k = 0.0364 0.0630 0.2844 ( 7394 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3589 -33.3589 -14.6571 -14.6571 -14.3048 -14.3048 -14.2396 -14.2396 -4.4489 -4.4489 -3.8893 -3.8893 3.1624 3.1624 4.5463 4.5463 5.9678 5.9678 6.1359 6.1359 6.4923 6.4923 6.7114 6.7114 9.6722 9.6722 10.0210 10.0210 10.2001 10.2001 10.4147 10.4147 k = 0.0303 0.0525 0.2844 ( 7394 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3590 -33.3590 -14.6568 -14.6568 -14.3045 -14.3045 -14.2384 -14.2384 -4.4577 -4.4577 -3.8996 -3.8996 3.1591 3.1591 4.5487 4.5487 6.0364 6.0364 6.1921 6.1921 6.5365 6.5365 6.7253 6.7253 9.6319 9.6319 10.0100 10.0100 10.1473 10.1473 10.3395 10.3395 k = 0.0242 0.0420 0.2844 ( 7386 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3591 -33.3591 -14.6565 -14.6565 -14.3043 -14.3043 -14.2375 -14.2375 -4.4649 -4.4649 -3.9081 -3.9081 3.1562 3.1562 4.5498 4.5498 6.0949 6.0949 6.2425 6.2425 6.5701 6.5701 6.7391 6.7391 9.5925 9.5925 10.0050 10.0050 10.1054 10.1054 10.2704 10.2704 k = 0.0182 0.0315 0.2844 ( 7386 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3592 -33.3592 -14.6563 -14.6563 -14.3041 -14.3041 -14.2367 -14.2367 -4.4705 -4.4705 -3.9147 -3.9147 3.1540 3.1540 4.5502 4.5502 6.1409 6.1409 6.2866 6.2866 6.5926 6.5926 6.7531 6.7531 9.5571 9.5571 10.0064 10.0064 10.0742 10.0742 10.2092 10.2092 k = 0.0121 0.0210 0.2844 ( 7386 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3593 -33.3593 -14.6561 -14.6561 -14.3039 -14.3039 -14.2361 -14.2361 -4.4746 -4.4746 -3.9194 -3.9194 3.1524 3.1524 4.5502 4.5502 6.1736 6.1736 6.3220 6.3220 6.6050 6.6050 6.7657 6.7657 9.5290 9.5290 10.0143 10.0143 10.0529 10.0529 10.1571 10.1571 k = 0.0061 0.0105 0.2844 ( 7388 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3594 -33.3594 -14.6560 -14.6560 -14.3039 -14.3039 -14.2358 -14.2358 -4.4770 -4.4770 -3.9222 -3.9222 3.1514 3.1514 4.5500 4.5500 6.1929 6.1929 6.3455 6.3455 6.6103 6.6103 6.7746 6.7746 9.5108 9.5108 10.0270 10.0270 10.0409 10.0409 10.1172 10.1172 k = 0.0000 0.0000 0.2844 ( 7392 PWs) bands (ev): -93.6986 -93.6986 -93.6981 -93.6981 -33.3594 -33.3594 -14.6560 -14.6560 -14.3038 -14.3038 -14.2357 -14.2357 -4.4778 -4.4778 -3.9232 -3.9232 3.1510 3.1510 4.5500 4.5500 6.1993 6.1993 6.3538 6.3538 6.6117 6.6117 6.7778 6.7778 9.5046 9.5046 10.0336 10.0336 10.0390 10.0390 10.0993 10.0993 k = 0.5000 0.2887 0.2844 ( 7356 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3467 -33.3467 -14.7053 -14.7053 -14.3573 -14.3573 -14.2853 -14.2853 -3.4163 -3.4163 -2.9436 -2.9436 1.9418 1.9418 2.1525 2.1525 4.2948 4.2948 4.5663 4.5663 5.8469 5.8469 6.1081 6.1081 8.2254 8.2254 9.0661 9.0661 10.2549 10.2549 10.5948 10.5948 k = 0.5000 0.2887 0.2726 ( 7356 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3467 -33.3467 -14.7053 -14.7053 -14.3573 -14.3573 -14.2853 -14.2853 -3.4160 -3.4160 -2.9440 -2.9440 1.9395 1.9395 2.1566 2.1566 4.2936 4.2936 4.5667 4.5667 5.8426 5.8426 6.1063 6.1063 8.2254 8.2254 9.0729 9.0729 10.2478 10.2478 10.6075 10.6076 k = 0.5000 0.2887 0.2607 ( 7360 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3467 -33.3467 -14.7053 -14.7053 -14.3573 -14.3573 -14.2853 -14.2853 -3.4151 -3.4151 -2.9453 -2.9453 1.9332 1.9332 2.1685 2.1685 4.2898 4.2898 4.5682 4.5682 5.8296 5.8296 6.1009 6.1009 8.2256 8.2256 9.0931 9.0931 10.2298 10.2298 10.6426 10.6427 k = 0.5000 0.2887 0.2489 ( 7356 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3467 -33.3467 -14.7053 -14.7053 -14.3573 -14.3573 -14.2853 -14.2853 -3.4136 -3.4136 -2.9474 -2.9474 1.9241 1.9241 2.1870 2.1870 4.2835 4.2835 4.5706 4.5706 5.8080 5.8080 6.0923 6.0923 8.2263 8.2263 9.1257 9.1257 10.2071 10.2071 10.6939 10.6939 k = 0.5000 0.2887 0.2370 ( 7348 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3467 -33.3467 -14.7053 -14.7053 -14.3573 -14.3573 -14.2853 -14.2853 -3.4115 -3.4115 -2.9504 -2.9504 1.9134 1.9134 2.2106 2.2106 4.2749 4.2749 4.5741 4.5741 5.7783 5.7783 6.0809 6.0809 8.2277 8.2277 9.1696 9.1696 10.1848 10.1848 10.7561 10.7561 k = 0.5000 0.2887 0.2252 ( 7352 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3467 -33.3467 -14.7053 -14.7053 -14.3573 -14.3573 -14.2853 -14.2853 -3.4088 -3.4088 -2.9542 -2.9542 1.9021 1.9021 2.2384 2.2384 4.2641 4.2641 4.5785 4.5785 5.7408 5.7408 6.0670 6.0670 8.2300 8.2300 9.2231 9.2231 10.1664 10.1664 10.8256 10.8256 k = 0.5000 0.2887 0.2133 ( 7356 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3467 -33.3467 -14.7053 -14.7053 -14.3573 -14.3573 -14.2853 -14.2853 -3.4056 -3.4056 -2.9587 -2.9587 1.8908 1.8908 2.2695 2.2695 4.2514 4.2514 4.5840 4.5840 5.6962 5.6962 6.0511 6.0511 8.2334 8.2334 9.2845 9.2845 10.1540 10.1540 10.9003 10.9003 k = 0.5000 0.2887 0.2015 ( 7354 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3467 -33.3467 -14.7053 -14.7053 -14.3573 -14.3573 -14.2853 -14.2853 -3.4018 -3.4018 -2.9639 -2.9639 1.8800 1.8800 2.3033 2.3033 4.2368 4.2368 4.5904 4.5904 5.6453 5.6453 6.0335 6.0335 8.2379 8.2379 9.3522 9.3522 10.1493 10.1493 10.9778 10.9778 k = 0.5000 0.2887 0.1896 ( 7350 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3467 -33.3467 -14.7053 -14.7053 -14.3573 -14.3573 -14.2853 -14.2853 -3.3976 -3.3976 -2.9698 -2.9698 1.8700 1.8700 2.3393 2.3393 4.2208 4.2208 4.5977 4.5977 5.5892 5.5892 6.0146 6.0146 8.2431 8.2431 9.4243 9.4243 10.1535 10.1535 11.0505 11.0505 k = 0.5000 0.2887 0.1778 ( 7346 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3467 -33.3467 -14.7053 -14.7053 -14.3573 -14.3573 -14.2853 -14.2853 -3.3928 -3.3928 -2.9763 -2.9763 1.8608 1.8608 2.3772 2.3772 4.2036 4.2036 4.6059 4.6059 5.5287 5.5287 5.9945 5.9945 8.2488 8.2488 9.4994 9.4994 10.1672 10.1672 11.1057 11.1058 k = 0.5000 0.2887 0.1659 ( 7338 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3467 -33.3467 -14.7053 -14.7053 -14.3573 -14.3573 -14.2853 -14.2853 -3.3877 -3.3877 -2.9833 -2.9833 1.8525 1.8525 2.4165 2.4165 4.1855 4.1855 4.6148 4.6148 5.4650 5.4650 5.9735 5.9735 8.2547 8.2547 9.5758 9.5758 10.1912 10.1912 11.1639 11.1639 k = 0.5000 0.2887 0.1541 ( 7342 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3467 -33.3467 -14.7053 -14.7053 -14.3573 -14.3573 -14.2853 -14.2853 -3.3822 -3.3822 -2.9907 -2.9907 1.8451 1.8451 2.4570 2.4570 4.1669 4.1669 4.6244 4.6244 5.3992 5.3992 5.9519 5.9519 8.2604 8.2604 9.6523 9.6523 10.2254 10.2254 11.2268 11.2268 k = 0.5000 0.2887 0.1422 ( 7354 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3467 -33.3467 -14.7053 -14.7053 -14.3573 -14.3573 -14.2853 -14.2853 -3.3764 -3.3764 -2.9984 -2.9984 1.8386 1.8386 2.4983 2.4983 4.1481 4.1481 4.6345 4.6345 5.3321 5.3321 5.9301 5.9301 8.2657 8.2657 9.7279 9.7279 10.2696 10.2696 11.2944 11.2944 k = 0.5000 0.2887 0.1304 ( 7358 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3467 -33.3467 -14.7053 -14.7053 -14.3573 -14.3573 -14.2853 -14.2853 -3.3703 -3.3703 -3.0064 -3.0064 1.8330 1.8330 2.5398 2.5398 4.1295 4.1295 4.6449 4.6449 5.2649 5.2649 5.9082 5.9082 8.2703 8.2703 9.8022 9.8022 10.3225 10.3225 11.3664 11.3664 k = 0.5000 0.2887 0.1185 ( 7364 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3467 -33.3467 -14.7053 -14.7053 -14.3573 -14.3573 -14.2853 -14.2853 -3.3641 -3.3641 -3.0145 -3.0145 1.8282 1.8282 2.5812 2.5812 4.1113 4.1113 4.6555 4.6555 5.1985 5.1985 5.8867 5.8867 8.2741 8.2741 9.8750 9.8750 10.3825 10.3825 11.4423 11.4424 k = 0.5000 0.2887 0.1067 ( 7350 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3467 -33.3467 -14.7053 -14.7053 -14.3573 -14.3573 -14.2853 -14.2853 -3.3578 -3.3578 -3.0226 -3.0226 1.8241 1.8241 2.6219 2.6219 4.0939 4.0939 4.6661 4.6661 5.1339 5.1339 5.8658 5.8658 8.2771 8.2771 9.9463 9.9463 10.4469 10.4469 11.5199 11.5199 k = 0.5000 0.2887 0.0948 ( 7342 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3467 -33.3467 -14.7053 -14.7053 -14.3573 -14.3573 -14.2853 -14.2853 -3.3516 -3.3516 -3.0305 -3.0305 1.8207 1.8207 2.6613 2.6613 4.0776 4.0776 4.6765 4.6765 5.0721 5.0721 5.8459 5.8459 8.2793 8.2793 10.0163 10.0163 10.5129 10.5129 11.5748 11.5748 k = 0.5000 0.2887 0.0830 ( 7338 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3467 -33.3467 -14.7053 -14.7053 -14.3573 -14.3573 -14.2853 -14.2853 -3.3456 -3.3456 -3.0381 -3.0381 1.8179 1.8179 2.6987 2.6987 4.0626 4.0626 4.6864 4.6864 5.0141 5.0141 5.8272 5.8272 8.2807 8.2807 10.0848 10.0848 10.5772 10.5772 11.6068 11.6068 k = 0.5000 0.2887 0.0711 ( 7342 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3467 -33.3467 -14.7053 -14.7053 -14.3573 -14.3573 -14.2853 -14.2853 -3.3399 -3.3399 -3.0452 -3.0452 1.8156 1.8156 2.7335 2.7335 4.0491 4.0491 4.6956 4.6956 4.9610 4.9610 5.8102 5.8102 8.2816 8.2816 10.1515 10.1515 10.6364 10.6364 11.6309 11.6309 k = 0.5000 0.2887 0.0593 ( 7328 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3467 -33.3467 -14.7053 -14.7053 -14.3573 -14.3573 -14.2853 -14.2853 -3.3346 -3.3346 -3.0517 -3.0517 1.8138 1.8138 2.7649 2.7649 4.0373 4.0373 4.7039 4.7039 4.9137 4.9137 5.7951 5.7951 8.2820 8.2820 10.2152 10.2152 10.6871 10.6871 11.6505 11.6505 k = 0.5000 0.2887 0.0474 ( 7332 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3467 -33.3467 -14.7053 -14.7053 -14.3573 -14.3573 -14.2853 -14.2853 -3.3300 -3.3300 -3.0574 -3.0574 1.8124 1.8124 2.7920 2.7920 4.0274 4.0274 4.7111 4.7111 4.8732 4.8732 5.7823 5.7823 8.2821 8.2821 10.2743 10.2743 10.7269 10.7269 11.6684 11.6684 k = 0.5000 0.2887 0.0356 ( 7340 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3467 -33.3467 -14.7053 -14.7053 -14.3573 -14.3573 -14.2853 -14.2853 -3.3262 -3.3262 -3.0620 -3.0620 1.8114 1.8114 2.8140 2.8140 4.0196 4.0196 4.7170 4.7170 4.8406 4.8406 5.7721 5.7721 8.2820 8.2820 10.3264 10.3264 10.7544 10.7544 11.6858 11.6858 k = 0.5000 0.2887 0.0237 ( 7344 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3467 -33.3467 -14.7053 -14.7053 -14.3573 -14.3573 -14.2853 -14.2853 -3.3234 -3.3234 -3.0655 -3.0655 1.8107 1.8107 2.8304 2.8304 4.0140 4.0140 4.7214 4.7214 4.8165 4.8165 5.7646 5.7646 8.2818 8.2818 10.3682 10.3682 10.7705 10.7705 11.7019 11.7019 k = 0.5000 0.2887 0.0119 ( 7356 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3467 -33.3467 -14.7053 -14.7053 -14.3573 -14.3573 -14.2853 -14.2853 -3.3216 -3.3216 -3.0676 -3.0676 1.8103 1.8103 2.8404 2.8404 4.0106 4.0106 4.7241 4.7241 4.8018 4.8018 5.7600 5.7600 8.2817 8.2817 10.3957 10.3957 10.7780 10.7780 11.7140 11.7140 k = 0.5000 0.2887-0.0000 ( 7356 PWs) bands (ev): -93.6984 -93.6984 -93.6982 -93.6982 -33.3467 -33.3467 -14.7053 -14.7053 -14.3573 -14.3573 -14.2853 -14.2853 -3.3210 -3.3210 -3.0683 -3.0683 1.8102 1.8102 2.8438 2.8438 4.0094 4.0094 4.7250 4.7250 4.7968 4.7968 5.7584 5.7584 8.2816 8.2816 10.4054 10.4054 10.7800 10.7800 11.7185 11.7185 k = 0.3333 0.5774-0.0000 ( 7374 PWs) bands (ev): -93.6983 -93.6983 -93.6983 -93.6983 -33.3452 -33.3452 -14.7048 -14.7048 -14.3493 -14.3493 -14.3135 -14.3135 -3.0379 -3.0379 -3.0356 -3.0356 2.6128 2.6128 2.6243 2.6243 2.7061 2.7061 4.5537 4.5537 4.6291 4.6291 4.6617 4.6617 10.1641 10.1641 10.9898 10.9898 10.9922 10.9922 11.2910 11.2910 k = 0.3333 0.5774 0.0119 ( 7368 PWs) bands (ev): -93.6983 -93.6983 -93.6983 -93.6983 -33.3452 -33.3452 -14.7048 -14.7048 -14.3493 -14.3493 -14.3135 -14.3135 -3.0379 -3.0379 -3.0356 -3.0356 2.6138 2.6138 2.6236 2.6236 2.7054 2.7054 4.5526 4.5526 4.6310 4.6310 4.6624 4.6624 10.1690 10.1690 10.9644 10.9644 10.9648 10.9648 11.3175 11.3176 k = 0.3333 0.5774 0.0237 ( 7368 PWs) bands (ev): -93.6983 -93.6983 -93.6983 -93.6983 -33.3452 -33.3452 -14.7048 -14.7048 -14.3493 -14.3493 -14.3135 -14.3135 -3.0380 -3.0380 -3.0356 -3.0356 2.6168 2.6168 2.6215 2.6215 2.7032 2.7032 4.5487 4.5487 4.6368 4.6368 4.6650 4.6650 10.1835 10.1835 10.8991 10.8991 10.9037 10.9037 11.3792 11.3792 k = 0.3333 0.5774 0.0356 ( 7374 PWs) bands (ev): -93.6983 -93.6983 -93.6983 -93.6983 -33.3452 -33.3452 -14.7048 -14.7048 -14.3493 -14.3493 -14.3135 -14.3135 -3.0380 -3.0380 -3.0357 -3.0357 2.6180 2.6180 2.6218 2.6218 2.6997 2.6997 4.5410 4.5410 4.6462 4.6462 4.6704 4.6704 10.2077 10.2077 10.8177 10.8177 10.8251 10.8251 11.4545 11.4545 k = 0.3333 0.5774 0.0474 ( 7368 PWs) bands (ev): -93.6983 -93.6983 -93.6983 -93.6983 -33.3452 -33.3452 -14.7048 -14.7048 -14.3493 -14.3493 -14.3135 -14.3135 -3.0381 -3.0381 -3.0357 -3.0357 2.6132 2.6132 2.6285 2.6285 2.6951 2.6951 4.5287 4.5287 4.6593 4.6593 4.6796 4.6796 10.2412 10.2412 10.7295 10.7295 10.7385 10.7385 11.5345 11.5345 k = 0.3333 0.5774 0.0593 ( 7356 PWs) bands (ev): -93.6983 -93.6983 -93.6983 -93.6983 -33.3452 -33.3452 -14.7048 -14.7048 -14.3493 -14.3493 -14.3135 -14.3135 -3.0381 -3.0381 -3.0358 -3.0358 2.6072 2.6072 2.6366 2.6366 2.6899 2.6899 4.5113 4.5113 4.6757 4.6757 4.6930 4.6930 10.2837 10.2837 10.6381 10.6381 10.6480 10.6480 11.6091 11.6092 k = 0.3333 0.5774 0.0711 ( 7359 PWs) bands (ev): -93.6983 -93.6983 -93.6983 -93.6983 -33.3452 -33.3452 -14.7048 -14.7048 -14.3493 -14.3493 -14.3135 -14.3135 -3.0382 -3.0382 -3.0359 -3.0359 2.6003 2.6003 2.6451 2.6451 2.6851 2.6851 4.4891 4.4891 4.6952 4.6952 4.7106 4.7106 10.3349 10.3349 10.5454 10.5454 10.5558 10.5558 11.6146 11.6146 k = 0.3333 0.5774 0.0830 ( 7365 PWs) bands (ev): -93.6983 -93.6983 -93.6983 -93.6983 -33.3452 -33.3452 -14.7048 -14.7048 -14.3493 -14.3493 -14.3135 -14.3135 -3.0383 -3.0383 -3.0360 -3.0360 2.5925 2.5925 2.6509 2.6509 2.6840 2.6840 4.4624 4.4624 4.7175 4.7175 4.7318 4.7318 10.3938 10.3938 10.4526 10.4526 10.4636 10.4636 11.6194 11.6194 k = 0.3333 0.5774 0.0948 ( 7362 PWs) bands (ev): -93.6983 -93.6983 -93.6983 -93.6983 -33.3452 -33.3452 -14.7048 -14.7048 -14.3493 -14.3493 -14.3135 -14.3135 -3.0384 -3.0384 -3.0361 -3.0361 2.5839 2.5839 2.6499 2.6499 2.6908 2.6908 4.4318 4.4318 4.7422 4.7422 4.7561 4.7561 10.3603 10.3603 10.3693 10.3693 10.4629 10.4629 11.6245 11.6245 k = 0.3333 0.5774 0.1067 ( 7356 PWs) bands (ev): -93.6983 -93.6983 -93.6983 -93.6983 -33.3452 -33.3452 -14.7048 -14.7048 -14.3493 -14.3493 -14.3135 -14.3135 -3.0385 -3.0385 -3.0363 -3.0363 2.5749 2.5749 2.6434 2.6434 2.7043 2.7043 4.3981 4.3981 4.7689 4.7689 4.7830 4.7830 10.2693 10.2693 10.2784 10.2784 10.5371 10.5371 11.6301 11.6301 k = 0.3333 0.5774 0.1185 ( 7353 PWs) bands (ev): -93.6983 -93.6983 -93.6983 -93.6983 -33.3452 -33.3452 -14.7048 -14.7048 -14.3493 -14.3493 -14.3135 -14.3135 -3.0386 -3.0386 -3.0364 -3.0364 2.5655 2.5655 2.6347 2.6347 2.7211 2.7211 4.3618 4.3618 4.7972 4.7972 4.8118 4.8118 10.1802 10.1802 10.1888 10.1888 10.6183 10.6183 11.6360 11.6360 k = 0.3333 0.5774 0.1304 ( 7347 PWs) bands (ev): -93.6983 -93.6983 -93.6983 -93.6983 -33.3452 -33.3452 -14.7048 -14.7048 -14.3493 -14.3493 -14.3135 -14.3135 -3.0387 -3.0387 -3.0365 -3.0365 2.5560 2.5560 2.6251 2.6251 2.7402 2.7402 4.3234 4.3234 4.8268 4.8268 4.8421 4.8421 10.0936 10.0936 10.1016 10.1016 10.7055 10.7055 11.6422 11.6422 k = 0.3333 0.5774 0.1422 ( 7350 PWs) bands (ev): -93.6983 -93.6983 -93.6983 -93.6983 -33.3452 -33.3452 -14.7048 -14.7048 -14.3493 -14.3493 -14.3135 -14.3135 -3.0388 -3.0388 -3.0367 -3.0367 2.5464 2.5464 2.6151 2.6151 2.7608 2.7608 4.2836 4.2836 4.8570 4.8570 4.8732 4.8732 10.0102 10.0102 10.0175 10.0175 10.7980 10.7980 11.6487 11.6488 k = 0.3333 0.5774 0.1541 ( 7344 PWs) bands (ev): -93.6983 -93.6983 -93.6983 -93.6983 -33.3452 -33.3452 -14.7048 -14.7048 -14.3493 -14.3493 -14.3135 -14.3135 -3.0390 -3.0390 -3.0368 -3.0368 2.5370 2.5370 2.6052 2.6052 2.7825 2.7825 4.2430 4.2430 4.8874 4.8874 4.9046 4.9046 9.9305 9.9305 9.9370 9.9370 10.8949 10.8949 11.6555 11.6555 k = 0.3333 0.5774 0.1659 ( 7350 PWs) bands (ev): -93.6983 -93.6983 -93.6983 -93.6983 -33.3452 -33.3452 -14.7048 -14.7048 -14.3493 -14.3493 -14.3135 -14.3135 -3.0391 -3.0391 -3.0370 -3.0370 2.5280 2.5280 2.5955 2.5955 2.8050 2.8050 4.2023 4.2023 4.9175 4.9175 4.9358 4.9358 9.8550 9.8550 9.8608 9.8608 10.9952 10.9952 11.6624 11.6624 k = 0.3333 0.5774 0.1778 ( 7353 PWs) bands (ev): -93.6983 -93.6983 -93.6983 -93.6983 -33.3452 -33.3452 -14.7048 -14.7048 -14.3492 -14.3492 -14.3135 -14.3135 -3.0392 -3.0392 -3.0371 -3.0371 2.5194 2.5194 2.5863 2.5863 2.8279 2.8279 4.1619 4.1619 4.9468 4.9468 4.9662 4.9662 9.7845 9.7845 9.7894 9.7894 11.0978 11.0978 11.6695 11.6695 k = 0.3333 0.5774 0.1896 ( 7365 PWs) bands (ev): -93.6983 -93.6983 -93.6983 -93.6983 -33.3452 -33.3452 -14.7048 -14.7048 -14.3492 -14.3492 -14.3136 -14.3136 -3.0393 -3.0393 -3.0372 -3.0372 2.5113 2.5113 2.5776 2.5776 2.8509 2.8509 4.1227 4.1227 4.9747 4.9747 4.9953 4.9953 9.7195 9.7195 9.7236 9.7236 11.2012 11.2012 11.6769 11.6769 k = 0.3333 0.5774 0.2015 ( 7377 PWs) bands (ev): -93.6983 -93.6983 -93.6983 -93.6983 -33.3452 -33.3452 -14.7048 -14.7048 -14.3492 -14.3492 -14.3136 -14.3136 -3.0394 -3.0394 -3.0374 -3.0374 2.5040 2.5040 2.5697 2.5697 2.8733 2.8733 4.0853 4.0853 5.0009 5.0009 5.0224 5.0224 9.6605 9.6605 9.6638 9.6638 11.3033 11.3033 11.6849 11.6849 k = 0.3333 0.5774 0.2133 ( 7365 PWs) bands (ev): -93.6983 -93.6983 -93.6983 -93.6983 -33.3452 -33.3452 -14.7048 -14.7048 -14.3492 -14.3492 -14.3136 -14.3136 -3.0395 -3.0395 -3.0375 -3.0375 2.4974 2.4974 2.5627 2.5627 2.8948 2.8948 4.0505 4.0505 5.0247 5.0247 5.0472 5.0472 9.6081 9.6081 9.6107 9.6107 11.4014 11.4014 11.6942 11.6942 k = 0.3333 0.5774 0.2252 ( 7338 PWs) bands (ev): -93.6983 -93.6983 -93.6983 -93.6983 -33.3452 -33.3452 -14.7048 -14.7048 -14.3492 -14.3492 -14.3136 -14.3136 -3.0396 -3.0396 -3.0376 -3.0376 2.4917 2.4917 2.5565 2.5565 2.9146 2.9146 4.0191 4.0191 5.0457 5.0457 5.0691 5.0691 9.5628 9.5628 9.5647 9.5647 11.4911 11.4911 11.7067 11.7067 k = 0.3333 0.5774 0.2370 ( 7335 PWs) bands (ev): -93.6983 -93.6983 -93.6983 -93.6983 -33.3452 -33.3452 -14.7048 -14.7048 -14.3492 -14.3492 -14.3136 -14.3136 -3.0396 -3.0396 -3.0376 -3.0376 2.4869 2.4869 2.5514 2.5514 2.9321 2.9321 3.9919 3.9919 5.0636 5.0636 5.0877 5.0877 9.5250 9.5250 9.5264 9.5264 11.5651 11.5651 11.7262 11.7262 k = 0.3333 0.5774 0.2489 ( 7332 PWs) bands (ev): -93.6983 -93.6983 -93.6983 -93.6983 -33.3452 -33.3452 -14.7048 -14.7048 -14.3492 -14.3492 -14.3136 -14.3136 -3.0397 -3.0397 -3.0377 -3.0377 2.4832 2.4832 2.5473 2.5473 2.9467 2.9467 3.9696 3.9696 5.0779 5.0779 5.1026 5.1026 9.4952 9.4952 9.4961 9.4961 11.6148 11.6148 11.7572 11.7572 k = 0.3333 0.5774 0.2607 ( 7344 PWs) bands (ev): -93.6983 -93.6983 -93.6983 -93.6983 -33.3452 -33.3452 -14.7048 -14.7048 -14.3492 -14.3492 -14.3136 -14.3136 -3.0397 -3.0397 -3.0378 -3.0378 2.4805 2.4805 2.5444 2.5444 2.9577 2.9577 3.9531 3.9531 5.0883 5.0883 5.1135 5.1135 9.4737 9.4737 9.4743 9.4743 11.6405 11.6405 11.7946 11.7946 k = 0.3333 0.5774 0.2726 ( 7350 PWs) bands (ev): -93.6983 -93.6983 -93.6983 -93.6983 -33.3452 -33.3452 -14.7048 -14.7048 -14.3492 -14.3492 -14.3136 -14.3136 -3.0397 -3.0397 -3.0378 -3.0378 2.4788 2.4788 2.5426 2.5426 2.9645 2.9645 3.9429 3.9429 5.0947 5.0947 5.1201 5.1201 9.4606 9.4606 9.4610 9.4610 11.6516 11.6516 11.8239 11.8239 k = 0.3333 0.5774 0.2844 ( 7338 PWs) bands (ev): -93.6983 -93.6983 -93.6983 -93.6983 -33.3452 -33.3452 -14.7048 -14.7048 -14.3492 -14.3492 -14.3136 -14.3136 -3.0397 -3.0397 -3.0378 -3.0378 2.4783 2.4783 2.5421 2.5421 2.9668 2.9668 3.9395 3.9395 5.0968 5.0968 5.1223 5.1223 9.4563 9.4563 9.4566 9.4566 11.6547 11.6547 11.8348 11.8348 Writing output data file CaxBeAsx2.save init_run : 0.56s CPU 0.73s WALL ( 1 calls) electrons : 237.90s CPU 241.10s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.05s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 237.89s CPU 241.09s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.01s WALL ( 1 calls) newd : 0.10s CPU 0.18s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.08s WALL ( 341 calls) cegterg : 218.93s CPU 221.12s WALL ( 799 calls) Called by sum_band: Called by *egterg: h_psi : 147.84s CPU 149.19s WALL ( 13393 calls) s_psi : 3.68s CPU 3.74s WALL ( 13393 calls) g_psi : 0.43s CPU 0.45s WALL ( 12253 calls) cdiaghg : 54.75s CPU 55.46s WALL ( 12594 calls) cegterg:over : 7.72s CPU 8.16s WALL ( 12253 calls) cegterg:upda : 9.95s CPU 10.02s WALL ( 12253 calls) cegterg:last : 3.80s CPU 3.71s WALL ( 1844 calls) cdiaghg:chol : 3.30s CPU 3.25s WALL ( 12594 calls) cdiaghg:inve : 1.51s CPU 1.54s WALL ( 12594 calls) cdiaghg:para : 3.10s CPU 3.22s WALL ( 25188 calls) Called by h_psi: h_psi:vloc : 137.34s CPU 138.68s WALL ( 13393 calls) h_psi:vnl : 10.10s CPU 10.10s WALL ( 13393 calls) add_vuspsi : 4.57s CPU 4.62s WALL ( 13393 calls) General routines calbec : 5.49s CPU 5.44s WALL ( 13393 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 123.28s CPU 124.60s WALL ( 841496 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.19s CPU 0.67s WALL ( 682 calls) Parallel routines fft_scatter : 38.08s CPU 38.22s WALL ( 841519 calls) PWSCF : 4m14.81s CPU 4m36.13s WALL This run was terminated on: 19:40:25 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=