Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:15:48 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: ./SrSi.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 56 37 11 1482 810 129 Max 57 38 12 1485 818 132 Sum 2029 1367 407 53399 29271 4699 bravais-lattice index = 14 lattice parameter (alat) = 11.6089 a.u. unit-cell volume = 741.8517 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 263.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.608887 celldm(2)= 1.000000 celldm(3)= 0.657447 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.692677 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.692677 0.721248 0.000000 ) a(3) = ( 0.000000 0.000000 0.657447 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.960386 -0.000000 ) b(2) = ( 0.000000 1.386485 -0.000000 ) b(3) = ( 0.000000 0.000000 1.521036 ) PseudoPot. # 1 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 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 Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 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 1221 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 atomic species valence mass pseudopotential Si 4.00 28.08550 Si( 1.00) Sr 10.00 87.62000 Sr( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.3287234 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3287234 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 388 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 2) = ( 0.0075741 0.0177755 -0.0000000), wk = 0.0025773 k( 3) = ( 0.0151482 0.0355509 -0.0000000), wk = 0.0025773 k( 4) = ( 0.0227223 0.0533264 -0.0000000), wk = 0.0025773 k( 5) = ( 0.0302964 0.0711018 -0.0000000), wk = 0.0025773 k( 6) = ( 0.0378705 0.0888772 -0.0000000), wk = 0.0025773 k( 7) = ( 0.0454446 0.1066527 -0.0000000), wk = 0.0025773 k( 8) = ( 0.0530187 0.1244281 -0.0000000), wk = 0.0025773 k( 9) = ( 0.0605928 0.1422036 -0.0000000), wk = 0.0025773 k( 10) = ( 0.0681670 0.1599791 -0.0000000), wk = 0.0025773 k( 11) = ( 0.0757411 0.1777545 -0.0000000), wk = 0.0025773 k( 12) = ( 0.0833152 0.1955300 -0.0000000), wk = 0.0025773 k( 13) = ( 0.0908893 0.2133054 -0.0000000), wk = 0.0025773 k( 14) = ( 0.0984634 0.2310808 -0.0000000), wk = 0.0025773 k( 15) = ( 0.1060375 0.2488563 -0.0000000), wk = 0.0025773 k( 16) = ( 0.1136116 0.2666317 -0.0000000), wk = 0.0025773 k( 17) = ( 0.1211857 0.2844072 -0.0000000), wk = 0.0025773 k( 18) = ( 0.1287598 0.3021827 -0.0000000), wk = 0.0025773 k( 19) = ( 0.1363339 0.3199581 -0.0000000), wk = 0.0025773 k( 20) = ( 0.1439080 0.3377336 -0.0000000), wk = 0.0025773 k( 21) = ( 0.1514821 0.3555090 -0.0000000), wk = 0.0025773 k( 22) = ( 0.1590562 0.3732844 -0.0000000), wk = 0.0025773 k( 23) = ( 0.1666303 0.3910599 -0.0000000), wk = 0.0025773 k( 24) = ( 0.1742045 0.4088354 -0.0000000), wk = 0.0025773 k( 25) = ( 0.1817786 0.4266108 -0.0000000), wk = 0.0025773 k( 26) = ( 0.1893527 0.4443863 -0.0000000), wk = 0.0025773 k( 27) = ( 0.1969268 0.4621617 -0.0000000), wk = 0.0025773 k( 28) = ( 0.2045009 0.4799372 -0.0000000), wk = 0.0025773 k( 29) = ( 0.2120750 0.4977126 -0.0000000), wk = 0.0025773 k( 30) = ( 0.2196491 0.5154881 -0.0000000), wk = 0.0025773 k( 31) = ( 0.2272232 0.5332635 -0.0000000), wk = 0.0025773 k( 32) = ( 0.2347973 0.5510390 -0.0000000), wk = 0.0025773 k( 33) = ( 0.2423714 0.5688144 -0.0000000), wk = 0.0025773 k( 34) = ( 0.2499455 0.5865899 -0.0000000), wk = 0.0025773 k( 35) = ( 0.2575196 0.6043653 -0.0000000), wk = 0.0025773 k( 36) = ( 0.2650937 0.6221408 -0.0000000), wk = 0.0025773 k( 37) = ( 0.2726678 0.6399162 -0.0000000), wk = 0.0025773 k( 38) = ( 0.2802419 0.6576917 -0.0000000), wk = 0.0025773 k( 39) = ( 0.2878160 0.6754671 -0.0000000), wk = 0.0025773 k( 40) = ( 0.2953902 0.6932426 -0.0000000), wk = 0.0025773 k( 41) = ( 0.2953902 0.6932426 -0.0000000), wk = 0.0025773 k( 42) = ( 0.2769283 0.6932426 -0.0000000), wk = 0.0025773 k( 43) = ( 0.2584664 0.6932426 -0.0000000), wk = 0.0025773 k( 44) = ( 0.2400045 0.6932426 -0.0000000), wk = 0.0025773 k( 45) = ( 0.2215426 0.6932426 -0.0000000), wk = 0.0025773 k( 46) = ( 0.2030807 0.6932426 -0.0000000), wk = 0.0025773 k( 47) = ( 0.1846188 0.6932426 -0.0000000), wk = 0.0025773 k( 48) = ( 0.1661570 0.6932426 -0.0000000), wk = 0.0025773 k( 49) = ( 0.1476951 0.6932426 -0.0000000), wk = 0.0025773 k( 50) = ( 0.1292332 0.6932426 -0.0000000), wk = 0.0025773 k( 51) = ( 0.1107713 0.6932425 -0.0000000), wk = 0.0025773 k( 52) = ( 0.0923094 0.6932426 -0.0000000), wk = 0.0025773 k( 53) = ( 0.0738475 0.6932426 -0.0000000), wk = 0.0025773 k( 54) = ( 0.0553857 0.6932426 -0.0000000), wk = 0.0025773 k( 55) = ( 0.0369238 0.6932426 -0.0000000), wk = 0.0025773 k( 56) = ( 0.0184619 0.6932426 -0.0000000), wk = 0.0025773 k( 57) = ( 0.0000000 0.6932426 -0.0000000), wk = 0.0025773 k( 58) = ( 0.0000000 0.6932426 -0.0000000), wk = 0.0025773 k( 59) = ( 0.0000000 0.6932426 0.0195005), wk = 0.0025773 k( 60) = ( 0.0000000 0.6932426 0.0390009), wk = 0.0025773 k( 61) = ( 0.0000000 0.6932426 0.0585014), wk = 0.0025773 k( 62) = ( 0.0000000 0.6932426 0.0780018), wk = 0.0025773 k( 63) = ( 0.0000000 0.6932426 0.0975023), wk = 0.0025773 k( 64) = ( 0.0000000 0.6932426 0.1170027), wk = 0.0025773 k( 65) = ( 0.0000000 0.6932426 0.1365032), wk = 0.0025773 k( 66) = ( 0.0000000 0.6932426 0.1560036), wk = 0.0025773 k( 67) = ( 0.0000000 0.6932426 0.1755041), wk = 0.0025773 k( 68) = ( 0.0000000 0.6932426 0.1950046), wk = 0.0025773 k( 69) = ( 0.0000000 0.6932426 0.2145050), wk = 0.0025773 k( 70) = ( 0.0000000 0.6932426 0.2340055), wk = 0.0025773 k( 71) = ( 0.0000000 0.6932426 0.2535059), wk = 0.0025773 k( 72) = ( 0.0000000 0.6932426 0.2730064), wk = 0.0025773 k( 73) = ( 0.0000000 0.6932426 0.2925068), wk = 0.0025773 k( 74) = ( 0.0000000 0.6932426 0.3120073), wk = 0.0025773 k( 75) = ( 0.0000000 0.6932426 0.3315078), wk = 0.0025773 k( 76) = ( 0.0000000 0.6932426 0.3510082), wk = 0.0025773 k( 77) = ( 0.0000000 0.6932426 0.3705087), wk = 0.0025773 k( 78) = ( 0.0000000 0.6932426 0.3900091), wk = 0.0025773 k( 79) = ( 0.0000000 0.6932426 0.4095096), wk = 0.0025773 k( 80) = ( 0.0000000 0.6932426 0.4290100), wk = 0.0025773 k( 81) = ( 0.0000000 0.6932426 0.4485105), wk = 0.0025773 k( 82) = ( 0.0000000 0.6932426 0.4680110), wk = 0.0025773 k( 83) = ( 0.0000000 0.6932426 0.4875114), wk = 0.0025773 k( 84) = ( 0.0000000 0.6932426 0.5070119), wk = 0.0025773 k( 85) = ( 0.0000000 0.6932426 0.5265123), wk = 0.0025773 k( 86) = ( 0.0000000 0.6932426 0.5460128), wk = 0.0025773 k( 87) = ( 0.0000000 0.6932426 0.5655132), wk = 0.0025773 k( 88) = ( 0.0000000 0.6932426 0.5850137), wk = 0.0025773 k( 89) = ( 0.0000000 0.6932426 0.6045142), wk = 0.0025773 k( 90) = ( 0.0000000 0.6932426 0.6240146), wk = 0.0025773 k( 91) = ( 0.0000000 0.6932426 0.6435151), wk = 0.0025773 k( 92) = ( 0.0000000 0.6932426 0.6630155), wk = 0.0025773 k( 93) = ( 0.0000000 0.6932426 0.6825160), wk = 0.0025773 k( 94) = ( 0.0000000 0.6932426 0.7020164), wk = 0.0025773 k( 95) = ( 0.0000000 0.6932426 0.7215169), wk = 0.0025773 k( 96) = ( 0.0000000 0.6932426 0.7410174), wk = 0.0025773 k( 97) = ( 0.0000000 0.6932426 0.7605178), wk = 0.0025773 k( 98) = ( 0.0000000 0.6932426 0.7605178), wk = 0.0025773 k( 99) = ( 0.0184619 0.6932426 0.7605178), wk = 0.0025773 k( 100) = ( 0.0369238 0.6932426 0.7605178), wk = 0.0025773 k( 101) = ( 0.0553857 0.6932426 0.7605178), wk = 0.0025773 k( 102) = ( 0.0738475 0.6932426 0.7605178), wk = 0.0025773 k( 103) = ( 0.0923094 0.6932426 0.7605178), wk = 0.0025773 k( 104) = ( 0.1107713 0.6932425 0.7605178), wk = 0.0025773 k( 105) = ( 0.1292332 0.6932426 0.7605178), wk = 0.0025773 k( 106) = ( 0.1476951 0.6932426 0.7605178), wk = 0.0025773 k( 107) = ( 0.1661570 0.6932426 0.7605178), wk = 0.0025773 k( 108) = ( 0.1846188 0.6932426 0.7605178), wk = 0.0025773 k( 109) = ( 0.2030807 0.6932426 0.7605178), wk = 0.0025773 k( 110) = ( 0.2215426 0.6932426 0.7605178), wk = 0.0025773 k( 111) = ( 0.2400045 0.6932426 0.7605178), wk = 0.0025773 k( 112) = ( 0.2584664 0.6932426 0.7605178), wk = 0.0025773 k( 113) = ( 0.2769283 0.6932426 0.7605178), wk = 0.0025773 k( 114) = ( 0.2953902 0.6932426 0.7605178), wk = 0.0025773 k( 115) = ( 0.2953902 0.6932426 0.7605178), wk = 0.0025773 k( 116) = ( 0.2878160 0.6754671 0.7605178), wk = 0.0025773 k( 117) = ( 0.2802419 0.6576917 0.7605178), wk = 0.0025773 k( 118) = ( 0.2726678 0.6399162 0.7605178), wk = 0.0025773 k( 119) = ( 0.2650937 0.6221408 0.7605178), wk = 0.0025773 k( 120) = ( 0.2575196 0.6043653 0.7605178), wk = 0.0025773 k( 121) = ( 0.2499455 0.5865899 0.7605178), wk = 0.0025773 k( 122) = ( 0.2423714 0.5688144 0.7605178), wk = 0.0025773 k( 123) = ( 0.2347973 0.5510390 0.7605178), wk = 0.0025773 k( 124) = ( 0.2272232 0.5332635 0.7605178), wk = 0.0025773 k( 125) = ( 0.2196491 0.5154881 0.7605178), wk = 0.0025773 k( 126) = ( 0.2120750 0.4977126 0.7605178), wk = 0.0025773 k( 127) = ( 0.2045009 0.4799372 0.7605178), wk = 0.0025773 k( 128) = ( 0.1969268 0.4621617 0.7605178), wk = 0.0025773 k( 129) = ( 0.1893527 0.4443863 0.7605178), wk = 0.0025773 k( 130) = ( 0.1817786 0.4266108 0.7605178), wk = 0.0025773 k( 131) = ( 0.1742045 0.4088354 0.7605178), wk = 0.0025773 k( 132) = ( 0.1666303 0.3910599 0.7605178), wk = 0.0025773 k( 133) = ( 0.1590562 0.3732844 0.7605178), wk = 0.0025773 k( 134) = ( 0.1514821 0.3555090 0.7605178), wk = 0.0025773 k( 135) = ( 0.1439080 0.3377336 0.7605178), wk = 0.0025773 k( 136) = ( 0.1363339 0.3199581 0.7605178), wk = 0.0025773 k( 137) = ( 0.1287598 0.3021827 0.7605178), wk = 0.0025773 k( 138) = ( 0.1211857 0.2844072 0.7605178), wk = 0.0025773 k( 139) = ( 0.1136116 0.2666317 0.7605178), wk = 0.0025773 k( 140) = ( 0.1060375 0.2488563 0.7605178), wk = 0.0025773 k( 141) = ( 0.0984634 0.2310808 0.7605178), wk = 0.0025773 k( 142) = ( 0.0908893 0.2133054 0.7605178), wk = 0.0025773 k( 143) = ( 0.0833152 0.1955300 0.7605178), wk = 0.0025773 k( 144) = ( 0.0757411 0.1777545 0.7605178), wk = 0.0025773 k( 145) = ( 0.0681670 0.1599791 0.7605178), wk = 0.0025773 k( 146) = ( 0.0605928 0.1422036 0.7605178), wk = 0.0025773 k( 147) = ( 0.0530187 0.1244281 0.7605178), wk = 0.0025773 k( 148) = ( 0.0454446 0.1066527 0.7605178), wk = 0.0025773 k( 149) = ( 0.0378705 0.0888772 0.7605178), wk = 0.0025773 k( 150) = ( 0.0302964 0.0711018 0.7605178), wk = 0.0025773 k( 151) = ( 0.0227223 0.0533264 0.7605178), wk = 0.0025773 k( 152) = ( 0.0151482 0.0355509 0.7605178), wk = 0.0025773 k( 153) = ( 0.0075741 0.0177755 0.7605178), wk = 0.0025773 k( 154) = ( 0.0000000 0.0000000 0.7605178), wk = 0.0025773 k( 155) = ( 0.0000000 0.0000000 0.7605178), wk = 0.0025773 k( 156) = ( 0.0000000 0.0000000 0.7410174), wk = 0.0025773 k( 157) = ( 0.0000000 0.0000000 0.7215169), wk = 0.0025773 k( 158) = ( 0.0000000 0.0000000 0.7020164), wk = 0.0025773 k( 159) = ( 0.0000000 0.0000000 0.6825160), wk = 0.0025773 k( 160) = ( 0.0000000 0.0000000 0.6630155), wk = 0.0025773 k( 161) = ( 0.0000000 0.0000000 0.6435151), wk = 0.0025773 k( 162) = ( 0.0000000 0.0000000 0.6240146), wk = 0.0025773 k( 163) = ( 0.0000000 0.0000000 0.6045142), wk = 0.0025773 k( 164) = ( 0.0000000 0.0000000 0.5850137), wk = 0.0025773 k( 165) = ( 0.0000000 0.0000000 0.5655132), wk = 0.0025773 k( 166) = ( 0.0000000 0.0000000 0.5460128), wk = 0.0025773 k( 167) = ( 0.0000000 0.0000000 0.5265123), wk = 0.0025773 k( 168) = ( 0.0000000 0.0000000 0.5070119), wk = 0.0025773 k( 169) = ( 0.0000000 0.0000000 0.4875114), wk = 0.0025773 k( 170) = ( 0.0000000 0.0000000 0.4680110), wk = 0.0025773 k( 171) = ( 0.0000000 0.0000000 0.4485105), wk = 0.0025773 k( 172) = ( 0.0000000 0.0000000 0.4290100), wk = 0.0025773 k( 173) = ( 0.0000000 0.0000000 0.4095096), wk = 0.0025773 k( 174) = ( 0.0000000 0.0000000 0.3900091), wk = 0.0025773 k( 175) = ( 0.0000000 0.0000000 0.3705087), wk = 0.0025773 k( 176) = ( 0.0000000 0.0000000 0.3510082), wk = 0.0025773 k( 177) = ( 0.0000000 0.0000000 0.3315078), wk = 0.0025773 k( 178) = ( 0.0000000 0.0000000 0.3120073), wk = 0.0025773 k( 179) = ( 0.0000000 0.0000000 0.2925068), wk = 0.0025773 k( 180) = ( 0.0000000 0.0000000 0.2730064), wk = 0.0025773 k( 181) = ( 0.0000000 0.0000000 0.2535059), wk = 0.0025773 k( 182) = ( 0.0000000 0.0000000 0.2340055), wk = 0.0025773 k( 183) = ( 0.0000000 0.0000000 0.2145050), wk = 0.0025773 k( 184) = ( 0.0000000 0.0000000 0.1950046), wk = 0.0025773 k( 185) = ( 0.0000000 0.0000000 0.1755041), wk = 0.0025773 k( 186) = ( 0.0000000 0.0000000 0.1560036), wk = 0.0025773 k( 187) = ( 0.0000000 0.0000000 0.1365032), wk = 0.0025773 k( 188) = ( 0.0000000 0.0000000 0.1170027), wk = 0.0025773 k( 189) = ( 0.0000000 0.0000000 0.0975023), wk = 0.0025773 k( 190) = ( 0.0000000 0.0000000 0.0780018), wk = 0.0025773 k( 191) = ( 0.0000000 0.0000000 0.0585014), wk = 0.0025773 k( 192) = ( 0.0000000 0.0000000 0.0390009), wk = 0.0025773 k( 193) = ( 0.0000000 0.0000000 0.0195005), wk = 0.0025773 k( 194) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 195) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 196) = ( -0.0178571 0.0076089 0.0000000), wk = 0.0025773 k( 197) = ( -0.0357143 0.0152178 0.0000000), wk = 0.0025773 k( 198) = ( -0.0535714 0.0228267 0.0000000), wk = 0.0025773 k( 199) = ( -0.0714286 0.0304357 0.0000000), wk = 0.0025773 k( 200) = ( -0.0892857 0.0380446 0.0000000), wk = 0.0025773 k( 201) = ( -0.1071429 0.0456535 0.0000000), wk = 0.0025773 k( 202) = ( -0.1250000 0.0532624 0.0000000), wk = 0.0025773 k( 203) = ( -0.1428571 0.0608713 0.0000000), wk = 0.0025773 k( 204) = ( -0.1607143 0.0684802 0.0000000), wk = 0.0025773 k( 205) = ( -0.1785714 0.0760892 0.0000000), wk = 0.0025773 k( 206) = ( -0.1964286 0.0836981 0.0000000), wk = 0.0025773 k( 207) = ( -0.2142857 0.0913070 0.0000000), wk = 0.0025773 k( 208) = ( -0.2321429 0.0989159 0.0000000), wk = 0.0025773 k( 209) = ( -0.2500000 0.1065248 0.0000000), wk = 0.0025773 k( 210) = ( -0.2678571 0.1141337 0.0000000), wk = 0.0025773 k( 211) = ( -0.2857143 0.1217426 0.0000000), wk = 0.0025773 k( 212) = ( -0.3035714 0.1293516 0.0000000), wk = 0.0025773 k( 213) = ( -0.3214286 0.1369605 0.0000000), wk = 0.0025773 k( 214) = ( -0.3392857 0.1445694 0.0000000), wk = 0.0025773 k( 215) = ( -0.3571429 0.1521783 0.0000000), wk = 0.0025773 k( 216) = ( -0.3750000 0.1597872 0.0000000), wk = 0.0025773 k( 217) = ( -0.3928571 0.1673961 0.0000000), wk = 0.0025773 k( 218) = ( -0.4107143 0.1750051 0.0000000), wk = 0.0025773 k( 219) = ( -0.4285714 0.1826140 0.0000000), wk = 0.0025773 k( 220) = ( -0.4464286 0.1902229 0.0000000), wk = 0.0025773 k( 221) = ( -0.4642857 0.1978318 0.0000000), wk = 0.0025773 k( 222) = ( -0.4821429 0.2054407 0.0000000), wk = 0.0025773 k( 223) = ( -0.5000000 0.2130496 0.0000000), wk = 0.0025773 k( 224) = ( -0.5000000 0.2130496 0.0000000), wk = 0.0025773 k( 225) = ( -0.4924219 0.2308345 -0.0000000), wk = 0.0025773 k( 226) = ( -0.4848437 0.2486195 -0.0000000), wk = 0.0025773 k( 227) = ( -0.4772656 0.2664044 -0.0000000), wk = 0.0025773 k( 228) = ( -0.4696874 0.2841893 -0.0000000), wk = 0.0025773 k( 229) = ( -0.4621093 0.3019742 -0.0000000), wk = 0.0025773 k( 230) = ( -0.4545311 0.3197592 -0.0000000), wk = 0.0025773 k( 231) = ( -0.4469530 0.3375441 -0.0000000), wk = 0.0025773 k( 232) = ( -0.4393749 0.3553290 -0.0000000), wk = 0.0025773 k( 233) = ( -0.4317967 0.3731139 -0.0000000), wk = 0.0025773 k( 234) = ( -0.4242186 0.3908989 -0.0000000), wk = 0.0025773 k( 235) = ( -0.4166404 0.4086838 -0.0000000), wk = 0.0025773 k( 236) = ( -0.4090623 0.4264687 -0.0000000), wk = 0.0025773 k( 237) = ( -0.4014841 0.4442536 -0.0000000), wk = 0.0025773 k( 238) = ( -0.3939060 0.4620386 -0.0000000), wk = 0.0025773 k( 239) = ( -0.3863279 0.4798235 -0.0000000), wk = 0.0025773 k( 240) = ( -0.3787497 0.4976084 -0.0000000), wk = 0.0025773 k( 241) = ( -0.3711716 0.5153933 -0.0000000), wk = 0.0025773 k( 242) = ( -0.3635934 0.5331783 -0.0000000), wk = 0.0025773 k( 243) = ( -0.3560153 0.5509632 -0.0000000), wk = 0.0025773 k( 244) = ( -0.3484371 0.5687481 -0.0000000), wk = 0.0025773 k( 245) = ( -0.3408590 0.5865330 -0.0000000), wk = 0.0025773 k( 246) = ( -0.3332809 0.6043179 -0.0000000), wk = 0.0025773 k( 247) = ( -0.3257027 0.6221029 -0.0000000), wk = 0.0025773 k( 248) = ( -0.3181246 0.6398878 -0.0000000), wk = 0.0025773 k( 249) = ( -0.3105464 0.6576727 -0.0000000), wk = 0.0025773 k( 250) = ( -0.3029683 0.6754576 -0.0000000), wk = 0.0025773 k( 251) = ( -0.2953902 0.6932426 -0.0000000), wk = 0.0025773 k( 252) = ( -0.2953902 0.6932426 -0.0000000), wk = 0.0025773 k( 253) = ( -0.2953902 0.6932426 0.0195005), wk = 0.0025773 k( 254) = ( -0.2953902 0.6932426 0.0390009), wk = 0.0025773 k( 255) = ( -0.2953902 0.6932426 0.0585014), wk = 0.0025773 k( 256) = ( -0.2953902 0.6932426 0.0780018), wk = 0.0025773 k( 257) = ( -0.2953902 0.6932426 0.0975023), wk = 0.0025773 k( 258) = ( -0.2953902 0.6932426 0.1170027), wk = 0.0025773 k( 259) = ( -0.2953902 0.6932426 0.1365032), wk = 0.0025773 k( 260) = ( -0.2953902 0.6932426 0.1560036), wk = 0.0025773 k( 261) = ( -0.2953902 0.6932426 0.1755041), wk = 0.0025773 k( 262) = ( -0.2953902 0.6932426 0.1950046), wk = 0.0025773 k( 263) = ( -0.2953902 0.6932426 0.2145050), wk = 0.0025773 k( 264) = ( -0.2953902 0.6932426 0.2340055), wk = 0.0025773 k( 265) = ( -0.2953902 0.6932426 0.2535059), wk = 0.0025773 k( 266) = ( -0.2953902 0.6932426 0.2730064), wk = 0.0025773 k( 267) = ( -0.2953902 0.6932426 0.2925068), wk = 0.0025773 k( 268) = ( -0.2953902 0.6932426 0.3120073), wk = 0.0025773 k( 269) = ( -0.2953902 0.6932426 0.3315078), wk = 0.0025773 k( 270) = ( -0.2953902 0.6932426 0.3510082), wk = 0.0025773 k( 271) = ( -0.2953902 0.6932426 0.3705087), wk = 0.0025773 k( 272) = ( -0.2953902 0.6932426 0.3900091), wk = 0.0025773 k( 273) = ( -0.2953902 0.6932426 0.4095096), wk = 0.0025773 k( 274) = ( -0.2953902 0.6932426 0.4290100), wk = 0.0025773 k( 275) = ( -0.2953902 0.6932426 0.4485105), wk = 0.0025773 k( 276) = ( -0.2953902 0.6932426 0.4680110), wk = 0.0025773 k( 277) = ( -0.2953902 0.6932426 0.4875114), wk = 0.0025773 k( 278) = ( -0.2953902 0.6932426 0.5070119), wk = 0.0025773 k( 279) = ( -0.2953902 0.6932426 0.5265123), wk = 0.0025773 k( 280) = ( -0.2953902 0.6932426 0.5460128), wk = 0.0025773 k( 281) = ( -0.2953902 0.6932426 0.5655132), wk = 0.0025773 k( 282) = ( -0.2953902 0.6932426 0.5850137), wk = 0.0025773 k( 283) = ( -0.2953902 0.6932426 0.6045142), wk = 0.0025773 k( 284) = ( -0.2953902 0.6932426 0.6240146), wk = 0.0025773 k( 285) = ( -0.2953902 0.6932426 0.6435151), wk = 0.0025773 k( 286) = ( -0.2953902 0.6932426 0.6630155), wk = 0.0025773 k( 287) = ( -0.2953902 0.6932426 0.6825160), wk = 0.0025773 k( 288) = ( -0.2953902 0.6932426 0.7020164), wk = 0.0025773 k( 289) = ( -0.2953902 0.6932426 0.7215169), wk = 0.0025773 k( 290) = ( -0.2953902 0.6932426 0.7410174), wk = 0.0025773 k( 291) = ( -0.2953902 0.6932426 0.7605178), wk = 0.0025773 k( 292) = ( -0.2953902 0.6932426 0.7605178), wk = 0.0025773 k( 293) = ( -0.3029683 0.6754576 0.7605178), wk = 0.0025773 k( 294) = ( -0.3105464 0.6576727 0.7605178), wk = 0.0025773 k( 295) = ( -0.3181246 0.6398878 0.7605178), wk = 0.0025773 k( 296) = ( -0.3257027 0.6221029 0.7605178), wk = 0.0025773 k( 297) = ( -0.3332809 0.6043179 0.7605178), wk = 0.0025773 k( 298) = ( -0.3408590 0.5865330 0.7605178), wk = 0.0025773 k( 299) = ( -0.3484371 0.5687481 0.7605178), wk = 0.0025773 k( 300) = ( -0.3560153 0.5509632 0.7605178), wk = 0.0025773 k( 301) = ( -0.3635934 0.5331783 0.7605178), wk = 0.0025773 k( 302) = ( -0.3711716 0.5153933 0.7605178), wk = 0.0025773 k( 303) = ( -0.3787497 0.4976084 0.7605178), wk = 0.0025773 k( 304) = ( -0.3863279 0.4798235 0.7605178), wk = 0.0025773 k( 305) = ( -0.3939060 0.4620386 0.7605178), wk = 0.0025773 k( 306) = ( -0.4014841 0.4442536 0.7605178), wk = 0.0025773 k( 307) = ( -0.4090623 0.4264687 0.7605178), wk = 0.0025773 k( 308) = ( -0.4166404 0.4086838 0.7605178), wk = 0.0025773 k( 309) = ( -0.4242186 0.3908989 0.7605178), wk = 0.0025773 k( 310) = ( -0.4317967 0.3731139 0.7605178), wk = 0.0025773 k( 311) = ( -0.4393749 0.3553290 0.7605178), wk = 0.0025773 k( 312) = ( -0.4469530 0.3375441 0.7605178), wk = 0.0025773 k( 313) = ( -0.4545311 0.3197592 0.7605178), wk = 0.0025773 k( 314) = ( -0.4621093 0.3019742 0.7605178), wk = 0.0025773 k( 315) = ( -0.4696874 0.2841893 0.7605178), wk = 0.0025773 k( 316) = ( -0.4772656 0.2664044 0.7605178), wk = 0.0025773 k( 317) = ( -0.4848437 0.2486195 0.7605178), wk = 0.0025773 k( 318) = ( -0.4924219 0.2308345 0.7605178), wk = 0.0025773 k( 319) = ( -0.5000000 0.2130496 0.7605178), wk = 0.0025773 k( 320) = ( -0.5000000 0.2130496 0.7605178), wk = 0.0025773 k( 321) = ( -0.5000000 0.2130496 0.7410174), wk = 0.0025773 k( 322) = ( -0.5000000 0.2130496 0.7215169), wk = 0.0025773 k( 323) = ( -0.5000000 0.2130496 0.7020164), wk = 0.0025773 k( 324) = ( -0.5000000 0.2130496 0.6825160), wk = 0.0025773 k( 325) = ( -0.5000000 0.2130496 0.6630155), wk = 0.0025773 k( 326) = ( -0.5000000 0.2130496 0.6435151), wk = 0.0025773 k( 327) = ( -0.5000000 0.2130496 0.6240146), wk = 0.0025773 k( 328) = ( -0.5000000 0.2130496 0.6045142), wk = 0.0025773 k( 329) = ( -0.5000000 0.2130496 0.5850137), wk = 0.0025773 k( 330) = ( -0.5000000 0.2130496 0.5655132), wk = 0.0025773 k( 331) = ( -0.5000000 0.2130496 0.5460128), wk = 0.0025773 k( 332) = ( -0.5000000 0.2130496 0.5265123), wk = 0.0025773 k( 333) = ( -0.5000000 0.2130496 0.5070119), wk = 0.0025773 k( 334) = ( -0.5000000 0.2130496 0.4875114), wk = 0.0025773 k( 335) = ( -0.5000000 0.2130496 0.4680110), wk = 0.0025773 k( 336) = ( -0.5000000 0.2130496 0.4485105), wk = 0.0025773 k( 337) = ( -0.5000000 0.2130496 0.4290100), wk = 0.0025773 k( 338) = ( -0.5000000 0.2130496 0.4095096), wk = 0.0025773 k( 339) = ( -0.5000000 0.2130496 0.3900091), wk = 0.0025773 k( 340) = ( -0.5000000 0.2130496 0.3705087), wk = 0.0025773 k( 341) = ( -0.5000000 0.2130496 0.3510082), wk = 0.0025773 k( 342) = ( -0.5000000 0.2130496 0.3315078), wk = 0.0025773 k( 343) = ( -0.5000000 0.2130496 0.3120073), wk = 0.0025773 k( 344) = ( -0.5000000 0.2130496 0.2925068), wk = 0.0025773 k( 345) = ( -0.5000000 0.2130496 0.2730064), wk = 0.0025773 k( 346) = ( -0.5000000 0.2130496 0.2535059), wk = 0.0025773 k( 347) = ( -0.5000000 0.2130496 0.2340055), wk = 0.0025773 k( 348) = ( -0.5000000 0.2130496 0.2145050), wk = 0.0025773 k( 349) = ( -0.5000000 0.2130496 0.1950046), wk = 0.0025773 k( 350) = ( -0.5000000 0.2130496 0.1755041), wk = 0.0025773 k( 351) = ( -0.5000000 0.2130496 0.1560036), wk = 0.0025773 k( 352) = ( -0.5000000 0.2130496 0.1365032), wk = 0.0025773 k( 353) = ( -0.5000000 0.2130496 0.1170027), wk = 0.0025773 k( 354) = ( -0.5000000 0.2130496 0.0975023), wk = 0.0025773 k( 355) = ( -0.5000000 0.2130496 0.0780018), wk = 0.0025773 k( 356) = ( -0.5000000 0.2130496 0.0585014), wk = 0.0025773 k( 357) = ( -0.5000000 0.2130496 0.0390009), wk = 0.0025773 k( 358) = ( -0.5000000 0.2130496 0.0195005), wk = 0.0025773 k( 359) = ( -0.5000000 0.2130496 0.0000000), wk = 0.0025773 k( 360) = ( 0.0000000 0.0000000 0.7605178), wk = 0.0025773 k( 361) = ( -0.0178571 0.0076089 0.7605178), wk = 0.0025773 k( 362) = ( -0.0357143 0.0152178 0.7605178), wk = 0.0025773 k( 363) = ( -0.0535714 0.0228267 0.7605178), wk = 0.0025773 k( 364) = ( -0.0714286 0.0304357 0.7605178), wk = 0.0025773 k( 365) = ( -0.0892857 0.0380446 0.7605178), wk = 0.0025773 k( 366) = ( -0.1071429 0.0456535 0.7605178), wk = 0.0025773 k( 367) = ( -0.1250000 0.0532624 0.7605178), wk = 0.0025773 k( 368) = ( -0.1428571 0.0608713 0.7605178), wk = 0.0025773 k( 369) = ( -0.1607143 0.0684802 0.7605178), wk = 0.0025773 k( 370) = ( -0.1785714 0.0760892 0.7605178), wk = 0.0025773 k( 371) = ( -0.1964286 0.0836981 0.7605178), wk = 0.0025773 k( 372) = ( -0.2142857 0.0913070 0.7605178), wk = 0.0025773 k( 373) = ( -0.2321429 0.0989159 0.7605178), wk = 0.0025773 k( 374) = ( -0.2500000 0.1065248 0.7605178), wk = 0.0025773 k( 375) = ( -0.2678571 0.1141337 0.7605178), wk = 0.0025773 k( 376) = ( -0.2857143 0.1217426 0.7605178), wk = 0.0025773 k( 377) = ( -0.3035714 0.1293516 0.7605178), wk = 0.0025773 k( 378) = ( -0.3214286 0.1369605 0.7605178), wk = 0.0025773 k( 379) = ( -0.3392857 0.1445694 0.7605178), wk = 0.0025773 k( 380) = ( -0.3571429 0.1521783 0.7605178), wk = 0.0025773 k( 381) = ( -0.3750000 0.1597872 0.7605178), wk = 0.0025773 k( 382) = ( -0.3928571 0.1673961 0.7605178), wk = 0.0025773 k( 383) = ( -0.4107143 0.1750051 0.7605178), wk = 0.0025773 k( 384) = ( -0.4285714 0.1826140 0.7605178), wk = 0.0025773 k( 385) = ( -0.4464286 0.1902229 0.7605178), wk = 0.0025773 k( 386) = ( -0.4642857 0.1978318 0.7605178), wk = 0.0025773 k( 387) = ( -0.4821429 0.2054407 0.7605178), wk = 0.0025773 k( 388) = ( -0.5000000 0.2130496 0.7605178), wk = 0.0025773 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 2) = ( 0.0075741 0.0075741 0.0000000), wk = 0.0025773 k( 3) = ( 0.0151482 0.0151482 0.0000000), wk = 0.0025773 k( 4) = ( 0.0227223 0.0227223 0.0000000), wk = 0.0025773 k( 5) = ( 0.0302964 0.0302964 0.0000000), wk = 0.0025773 k( 6) = ( 0.0378705 0.0378705 0.0000000), wk = 0.0025773 k( 7) = ( 0.0454446 0.0454446 0.0000000), wk = 0.0025773 k( 8) = ( 0.0530187 0.0530187 0.0000000), wk = 0.0025773 k( 9) = ( 0.0605928 0.0605928 0.0000000), wk = 0.0025773 k( 10) = ( 0.0681670 0.0681670 0.0000000), wk = 0.0025773 k( 11) = ( 0.0757411 0.0757411 0.0000000), wk = 0.0025773 k( 12) = ( 0.0833152 0.0833152 0.0000000), wk = 0.0025773 k( 13) = ( 0.0908893 0.0908893 0.0000000), wk = 0.0025773 k( 14) = ( 0.0984634 0.0984634 0.0000000), wk = 0.0025773 k( 15) = ( 0.1060375 0.1060375 0.0000000), wk = 0.0025773 k( 16) = ( 0.1136116 0.1136116 0.0000000), wk = 0.0025773 k( 17) = ( 0.1211857 0.1211857 0.0000000), wk = 0.0025773 k( 18) = ( 0.1287598 0.1287598 0.0000000), wk = 0.0025773 k( 19) = ( 0.1363339 0.1363339 0.0000000), wk = 0.0025773 k( 20) = ( 0.1439080 0.1439080 0.0000000), wk = 0.0025773 k( 21) = ( 0.1514821 0.1514821 0.0000000), wk = 0.0025773 k( 22) = ( 0.1590562 0.1590562 0.0000000), wk = 0.0025773 k( 23) = ( 0.1666303 0.1666303 0.0000000), wk = 0.0025773 k( 24) = ( 0.1742045 0.1742045 0.0000000), wk = 0.0025773 k( 25) = ( 0.1817786 0.1817786 0.0000000), wk = 0.0025773 k( 26) = ( 0.1893527 0.1893527 0.0000000), wk = 0.0025773 k( 27) = ( 0.1969268 0.1969268 0.0000000), wk = 0.0025773 k( 28) = ( 0.2045009 0.2045009 0.0000000), wk = 0.0025773 k( 29) = ( 0.2120750 0.2120750 0.0000000), wk = 0.0025773 k( 30) = ( 0.2196491 0.2196491 0.0000000), wk = 0.0025773 k( 31) = ( 0.2272232 0.2272232 0.0000000), wk = 0.0025773 k( 32) = ( 0.2347973 0.2347973 0.0000000), wk = 0.0025773 k( 33) = ( 0.2423714 0.2423714 0.0000000), wk = 0.0025773 k( 34) = ( 0.2499455 0.2499455 0.0000000), wk = 0.0025773 k( 35) = ( 0.2575196 0.2575196 -0.0000000), wk = 0.0025773 k( 36) = ( 0.2650937 0.2650937 0.0000000), wk = 0.0025773 k( 37) = ( 0.2726678 0.2726678 0.0000000), wk = 0.0025773 k( 38) = ( 0.2802419 0.2802419 0.0000000), wk = 0.0025773 k( 39) = ( 0.2878160 0.2878160 0.0000000), wk = 0.0025773 k( 40) = ( 0.2953902 0.2953902 0.0000000), wk = 0.0025773 k( 41) = ( 0.2953902 0.2953902 0.0000000), wk = 0.0025773 k( 42) = ( 0.2769283 0.3081783 0.0000000), wk = 0.0025773 k( 43) = ( 0.2584664 0.3209664 0.0000000), wk = 0.0025773 k( 44) = ( 0.2400045 0.3337545 0.0000000), wk = 0.0025773 k( 45) = ( 0.2215426 0.3465426 0.0000000), wk = 0.0025773 k( 46) = ( 0.2030807 0.3593307 0.0000000), wk = 0.0025773 k( 47) = ( 0.1846188 0.3721188 0.0000000), wk = 0.0025773 k( 48) = ( 0.1661570 0.3849070 0.0000000), wk = 0.0025773 k( 49) = ( 0.1476951 0.3976951 0.0000000), wk = 0.0025773 k( 50) = ( 0.1292332 0.4104832 0.0000000), wk = 0.0025773 k( 51) = ( 0.1107713 0.4232713 0.0000000), wk = 0.0025773 k( 52) = ( 0.0923094 0.4360594 -0.0000000), wk = 0.0025773 k( 53) = ( 0.0738475 0.4488475 0.0000000), wk = 0.0025773 k( 54) = ( 0.0553857 0.4616357 0.0000000), wk = 0.0025773 k( 55) = ( 0.0369238 0.4744238 0.0000000), wk = 0.0025773 k( 56) = ( 0.0184619 0.4872119 0.0000000), wk = 0.0025773 k( 57) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025773 k( 58) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025773 k( 59) = ( 0.0000000 0.5000000 0.0128205), wk = 0.0025773 k( 60) = ( 0.0000000 0.5000000 0.0256410), wk = 0.0025773 k( 61) = ( 0.0000000 0.5000000 0.0384615), wk = 0.0025773 k( 62) = ( 0.0000000 0.5000000 0.0512821), wk = 0.0025773 k( 63) = ( 0.0000000 0.5000000 0.0641026), wk = 0.0025773 k( 64) = ( 0.0000000 0.5000000 0.0769231), wk = 0.0025773 k( 65) = ( 0.0000000 0.5000000 0.0897436), wk = 0.0025773 k( 66) = ( 0.0000000 0.5000000 0.1025641), wk = 0.0025773 k( 67) = ( 0.0000000 0.5000000 0.1153846), wk = 0.0025773 k( 68) = ( 0.0000000 0.5000000 0.1282051), wk = 0.0025773 k( 69) = ( 0.0000000 0.5000000 0.1410256), wk = 0.0025773 k( 70) = ( 0.0000000 0.5000000 0.1538461), wk = 0.0025773 k( 71) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0025773 k( 72) = ( 0.0000000 0.5000000 0.1794872), wk = 0.0025773 k( 73) = ( 0.0000000 0.5000000 0.1923077), wk = 0.0025773 k( 74) = ( 0.0000000 0.5000000 0.2051282), wk = 0.0025773 k( 75) = ( 0.0000000 0.5000000 0.2179487), wk = 0.0025773 k( 76) = ( 0.0000000 0.5000000 0.2307692), wk = 0.0025773 k( 77) = ( 0.0000000 0.5000000 0.2435897), wk = 0.0025773 k( 78) = ( 0.0000000 0.5000000 0.2564103), wk = 0.0025773 k( 79) = ( 0.0000000 0.5000000 0.2692308), wk = 0.0025773 k( 80) = ( 0.0000000 0.5000000 0.2820513), wk = 0.0025773 k( 81) = ( 0.0000000 0.5000000 0.2948718), wk = 0.0025773 k( 82) = ( 0.0000000 0.5000000 0.3076923), wk = 0.0025773 k( 83) = ( 0.0000000 0.5000000 0.3205128), wk = 0.0025773 k( 84) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0025773 k( 85) = ( 0.0000000 0.5000000 0.3461538), wk = 0.0025773 k( 86) = ( 0.0000000 0.5000000 0.3589744), wk = 0.0025773 k( 87) = ( 0.0000000 0.5000000 0.3717949), wk = 0.0025773 k( 88) = ( 0.0000000 0.5000000 0.3846154), wk = 0.0025773 k( 89) = ( 0.0000000 0.5000000 0.3974359), wk = 0.0025773 k( 90) = ( 0.0000000 0.5000000 0.4102564), wk = 0.0025773 k( 91) = ( 0.0000000 0.5000000 0.4230769), wk = 0.0025773 k( 92) = ( 0.0000000 0.5000000 0.4358974), wk = 0.0025773 k( 93) = ( 0.0000000 0.5000000 0.4487179), wk = 0.0025773 k( 94) = ( 0.0000000 0.5000000 0.4615385), wk = 0.0025773 k( 95) = ( 0.0000000 0.5000000 0.4743590), wk = 0.0025773 k( 96) = ( 0.0000000 0.5000000 0.4871795), wk = 0.0025773 k( 97) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025773 k( 98) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025773 k( 99) = ( 0.0184619 0.4872119 0.5000000), wk = 0.0025773 k( 100) = ( 0.0369238 0.4744238 0.5000000), wk = 0.0025773 k( 101) = ( 0.0553857 0.4616357 0.5000000), wk = 0.0025773 k( 102) = ( 0.0738475 0.4488475 0.5000000), wk = 0.0025773 k( 103) = ( 0.0923094 0.4360594 0.5000000), wk = 0.0025773 k( 104) = ( 0.1107713 0.4232713 0.5000000), wk = 0.0025773 k( 105) = ( 0.1292332 0.4104832 0.5000000), wk = 0.0025773 k( 106) = ( 0.1476951 0.3976951 0.5000000), wk = 0.0025773 k( 107) = ( 0.1661570 0.3849070 0.5000000), wk = 0.0025773 k( 108) = ( 0.1846188 0.3721188 0.5000000), wk = 0.0025773 k( 109) = ( 0.2030807 0.3593307 0.5000000), wk = 0.0025773 k( 110) = ( 0.2215426 0.3465426 0.5000000), wk = 0.0025773 k( 111) = ( 0.2400045 0.3337545 0.5000000), wk = 0.0025773 k( 112) = ( 0.2584664 0.3209664 0.5000000), wk = 0.0025773 k( 113) = ( 0.2769283 0.3081783 0.5000000), wk = 0.0025773 k( 114) = ( 0.2953902 0.2953902 0.5000000), wk = 0.0025773 k( 115) = ( 0.2953902 0.2953902 0.5000000), wk = 0.0025773 k( 116) = ( 0.2878160 0.2878160 0.5000000), wk = 0.0025773 k( 117) = ( 0.2802419 0.2802419 0.5000000), wk = 0.0025773 k( 118) = ( 0.2726678 0.2726678 0.5000000), wk = 0.0025773 k( 119) = ( 0.2650937 0.2650937 0.5000000), wk = 0.0025773 k( 120) = ( 0.2575196 0.2575196 0.5000000), wk = 0.0025773 k( 121) = ( 0.2499455 0.2499455 0.5000000), wk = 0.0025773 k( 122) = ( 0.2423714 0.2423714 0.5000000), wk = 0.0025773 k( 123) = ( 0.2347973 0.2347973 0.5000000), wk = 0.0025773 k( 124) = ( 0.2272232 0.2272232 0.5000000), wk = 0.0025773 k( 125) = ( 0.2196491 0.2196491 0.5000000), wk = 0.0025773 k( 126) = ( 0.2120750 0.2120750 0.5000000), wk = 0.0025773 k( 127) = ( 0.2045009 0.2045009 0.5000000), wk = 0.0025773 k( 128) = ( 0.1969268 0.1969268 0.5000000), wk = 0.0025773 k( 129) = ( 0.1893527 0.1893527 0.5000000), wk = 0.0025773 k( 130) = ( 0.1817786 0.1817786 0.5000000), wk = 0.0025773 k( 131) = ( 0.1742045 0.1742045 0.5000000), wk = 0.0025773 k( 132) = ( 0.1666303 0.1666303 0.5000000), wk = 0.0025773 k( 133) = ( 0.1590562 0.1590562 0.5000000), wk = 0.0025773 k( 134) = ( 0.1514821 0.1514821 0.5000000), wk = 0.0025773 k( 135) = ( 0.1439080 0.1439080 0.5000000), wk = 0.0025773 k( 136) = ( 0.1363339 0.1363339 0.5000000), wk = 0.0025773 k( 137) = ( 0.1287598 0.1287598 0.5000000), wk = 0.0025773 k( 138) = ( 0.1211857 0.1211857 0.5000000), wk = 0.0025773 k( 139) = ( 0.1136116 0.1136116 0.5000000), wk = 0.0025773 k( 140) = ( 0.1060375 0.1060375 0.5000000), wk = 0.0025773 k( 141) = ( 0.0984634 0.0984634 0.5000000), wk = 0.0025773 k( 142) = ( 0.0908893 0.0908893 0.5000000), wk = 0.0025773 k( 143) = ( 0.0833152 0.0833152 0.5000000), wk = 0.0025773 k( 144) = ( 0.0757411 0.0757411 0.5000000), wk = 0.0025773 k( 145) = ( 0.0681670 0.0681670 0.5000000), wk = 0.0025773 k( 146) = ( 0.0605928 0.0605928 0.5000000), wk = 0.0025773 k( 147) = ( 0.0530187 0.0530187 0.5000000), wk = 0.0025773 k( 148) = ( 0.0454446 0.0454446 0.5000000), wk = 0.0025773 k( 149) = ( 0.0378705 0.0378705 0.5000000), wk = 0.0025773 k( 150) = ( 0.0302964 0.0302964 0.5000000), wk = 0.0025773 k( 151) = ( 0.0227223 0.0227223 0.5000000), wk = 0.0025773 k( 152) = ( 0.0151482 0.0151482 0.5000000), wk = 0.0025773 k( 153) = ( 0.0075741 0.0075741 0.5000000), wk = 0.0025773 k( 154) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025773 k( 155) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025773 k( 156) = ( 0.0000000 0.0000000 0.4871795), wk = 0.0025773 k( 157) = ( 0.0000000 0.0000000 0.4743590), wk = 0.0025773 k( 158) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0025773 k( 159) = ( 0.0000000 0.0000000 0.4487179), wk = 0.0025773 k( 160) = ( 0.0000000 0.0000000 0.4358974), wk = 0.0025773 k( 161) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0025773 k( 162) = ( 0.0000000 0.0000000 0.4102564), wk = 0.0025773 k( 163) = ( 0.0000000 0.0000000 0.3974359), wk = 0.0025773 k( 164) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0025773 k( 165) = ( 0.0000000 0.0000000 0.3717949), wk = 0.0025773 k( 166) = ( 0.0000000 0.0000000 0.3589744), wk = 0.0025773 k( 167) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0025773 k( 168) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0025773 k( 169) = ( 0.0000000 0.0000000 0.3205128), wk = 0.0025773 k( 170) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0025773 k( 171) = ( 0.0000000 0.0000000 0.2948718), wk = 0.0025773 k( 172) = ( 0.0000000 0.0000000 0.2820513), wk = 0.0025773 k( 173) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0025773 k( 174) = ( 0.0000000 0.0000000 0.2564103), wk = 0.0025773 k( 175) = ( 0.0000000 0.0000000 0.2435897), wk = 0.0025773 k( 176) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0025773 k( 177) = ( 0.0000000 0.0000000 0.2179487), wk = 0.0025773 k( 178) = ( 0.0000000 0.0000000 0.2051282), wk = 0.0025773 k( 179) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0025773 k( 180) = ( 0.0000000 0.0000000 0.1794872), wk = 0.0025773 k( 181) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0025773 k( 182) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0025773 k( 183) = ( 0.0000000 0.0000000 0.1410256), wk = 0.0025773 k( 184) = ( 0.0000000 0.0000000 0.1282051), wk = 0.0025773 k( 185) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0025773 k( 186) = ( 0.0000000 0.0000000 0.1025641), wk = 0.0025773 k( 187) = ( 0.0000000 0.0000000 0.0897436), wk = 0.0025773 k( 188) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0025773 k( 189) = ( 0.0000000 0.0000000 0.0641026), wk = 0.0025773 k( 190) = ( 0.0000000 0.0000000 0.0512820), wk = 0.0025773 k( 191) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0025773 k( 192) = ( 0.0000000 0.0000000 0.0256410), wk = 0.0025773 k( 193) = ( 0.0000000 0.0000000 0.0128205), wk = 0.0025773 k( 194) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 195) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 196) = ( -0.0178571 0.0178571 -0.0000000), wk = 0.0025773 k( 197) = ( -0.0357143 0.0357143 -0.0000000), wk = 0.0025773 k( 198) = ( -0.0535714 0.0535714 -0.0000000), wk = 0.0025773 k( 199) = ( -0.0714286 0.0714286 -0.0000000), wk = 0.0025773 k( 200) = ( -0.0892857 0.0892857 -0.0000000), wk = 0.0025773 k( 201) = ( -0.1071429 0.1071429 -0.0000000), wk = 0.0025773 k( 202) = ( -0.1250000 0.1250000 -0.0000000), wk = 0.0025773 k( 203) = ( -0.1428571 0.1428571 -0.0000000), wk = 0.0025773 k( 204) = ( -0.1607143 0.1607143 -0.0000000), wk = 0.0025773 k( 205) = ( -0.1785714 0.1785714 -0.0000000), wk = 0.0025773 k( 206) = ( -0.1964286 0.1964286 -0.0000000), wk = 0.0025773 k( 207) = ( -0.2142857 0.2142857 -0.0000000), wk = 0.0025773 k( 208) = ( -0.2321429 0.2321429 -0.0000000), wk = 0.0025773 k( 209) = ( -0.2500000 0.2500000 -0.0000000), wk = 0.0025773 k( 210) = ( -0.2678571 0.2678571 -0.0000000), wk = 0.0025773 k( 211) = ( -0.2857143 0.2857143 -0.0000000), wk = 0.0025773 k( 212) = ( -0.3035714 0.3035714 -0.0000000), wk = 0.0025773 k( 213) = ( -0.3214286 0.3214286 -0.0000000), wk = 0.0025773 k( 214) = ( -0.3392857 0.3392857 -0.0000000), wk = 0.0025773 k( 215) = ( -0.3571429 0.3571429 -0.0000000), wk = 0.0025773 k( 216) = ( -0.3750000 0.3750000 -0.0000000), wk = 0.0025773 k( 217) = ( -0.3928571 0.3928571 -0.0000000), wk = 0.0025773 k( 218) = ( -0.4107143 0.4107143 -0.0000000), wk = 0.0025773 k( 219) = ( -0.4285714 0.4285714 -0.0000000), wk = 0.0025773 k( 220) = ( -0.4464286 0.4464286 -0.0000000), wk = 0.0025773 k( 221) = ( -0.4642857 0.4642857 -0.0000000), wk = 0.0025773 k( 222) = ( -0.4821429 0.4821429 0.0000000), wk = 0.0025773 k( 223) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0025773 k( 224) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0025773 k( 225) = ( -0.4924219 0.5075781 -0.0000000), wk = 0.0025773 k( 226) = ( -0.4848437 0.5151563 -0.0000000), wk = 0.0025773 k( 227) = ( -0.4772656 0.5227344 -0.0000000), wk = 0.0025773 k( 228) = ( -0.4696874 0.5303126 -0.0000000), wk = 0.0025773 k( 229) = ( -0.4621093 0.5378907 -0.0000000), wk = 0.0025773 k( 230) = ( -0.4545311 0.5454689 -0.0000000), wk = 0.0025773 k( 231) = ( -0.4469530 0.5530470 -0.0000000), wk = 0.0025773 k( 232) = ( -0.4393749 0.5606251 -0.0000000), wk = 0.0025773 k( 233) = ( -0.4317967 0.5682033 -0.0000000), wk = 0.0025773 k( 234) = ( -0.4242186 0.5757814 -0.0000000), wk = 0.0025773 k( 235) = ( -0.4166404 0.5833596 -0.0000000), wk = 0.0025773 k( 236) = ( -0.4090623 0.5909377 0.0000000), wk = 0.0025773 k( 237) = ( -0.4014841 0.5985159 0.0000000), wk = 0.0025773 k( 238) = ( -0.3939060 0.6060940 -0.0000000), wk = 0.0025773 k( 239) = ( -0.3863279 0.6136721 -0.0000000), wk = 0.0025773 k( 240) = ( -0.3787497 0.6212503 -0.0000000), wk = 0.0025773 k( 241) = ( -0.3711716 0.6288284 0.0000000), wk = 0.0025773 k( 242) = ( -0.3635934 0.6364066 -0.0000000), wk = 0.0025773 k( 243) = ( -0.3560153 0.6439847 -0.0000000), wk = 0.0025773 k( 244) = ( -0.3484371 0.6515629 -0.0000000), wk = 0.0025773 k( 245) = ( -0.3408590 0.6591410 0.0000000), wk = 0.0025773 k( 246) = ( -0.3332809 0.6667191 0.0000000), wk = 0.0025773 k( 247) = ( -0.3257027 0.6742973 -0.0000000), wk = 0.0025773 k( 248) = ( -0.3181246 0.6818754 0.0000000), wk = 0.0025773 k( 249) = ( -0.3105464 0.6894536 -0.0000000), wk = 0.0025773 k( 250) = ( -0.3029683 0.6970317 -0.0000000), wk = 0.0025773 k( 251) = ( -0.2953902 0.7046098 0.0000000), wk = 0.0025773 k( 252) = ( -0.2953902 0.7046098 0.0000000), wk = 0.0025773 k( 253) = ( -0.2953902 0.7046098 0.0128205), wk = 0.0025773 k( 254) = ( -0.2953902 0.7046098 0.0256410), wk = 0.0025773 k( 255) = ( -0.2953902 0.7046098 0.0384615), wk = 0.0025773 k( 256) = ( -0.2953902 0.7046098 0.0512821), wk = 0.0025773 k( 257) = ( -0.2953902 0.7046098 0.0641026), wk = 0.0025773 k( 258) = ( -0.2953902 0.7046098 0.0769231), wk = 0.0025773 k( 259) = ( -0.2953902 0.7046098 0.0897436), wk = 0.0025773 k( 260) = ( -0.2953902 0.7046098 0.1025641), wk = 0.0025773 k( 261) = ( -0.2953902 0.7046098 0.1153846), wk = 0.0025773 k( 262) = ( -0.2953902 0.7046098 0.1282051), wk = 0.0025773 k( 263) = ( -0.2953902 0.7046098 0.1410256), wk = 0.0025773 k( 264) = ( -0.2953902 0.7046098 0.1538461), wk = 0.0025773 k( 265) = ( -0.2953902 0.7046098 0.1666667), wk = 0.0025773 k( 266) = ( -0.2953902 0.7046098 0.1794872), wk = 0.0025773 k( 267) = ( -0.2953902 0.7046098 0.1923077), wk = 0.0025773 k( 268) = ( -0.2953902 0.7046098 0.2051282), wk = 0.0025773 k( 269) = ( -0.2953902 0.7046098 0.2179487), wk = 0.0025773 k( 270) = ( -0.2953902 0.7046098 0.2307692), wk = 0.0025773 k( 271) = ( -0.2953902 0.7046098 0.2435897), wk = 0.0025773 k( 272) = ( -0.2953902 0.7046098 0.2564103), wk = 0.0025773 k( 273) = ( -0.2953902 0.7046098 0.2692308), wk = 0.0025773 k( 274) = ( -0.2953902 0.7046098 0.2820513), wk = 0.0025773 k( 275) = ( -0.2953902 0.7046098 0.2948718), wk = 0.0025773 k( 276) = ( -0.2953902 0.7046098 0.3076923), wk = 0.0025773 k( 277) = ( -0.2953902 0.7046098 0.3205128), wk = 0.0025773 k( 278) = ( -0.2953902 0.7046098 0.3333333), wk = 0.0025773 k( 279) = ( -0.2953902 0.7046098 0.3461538), wk = 0.0025773 k( 280) = ( -0.2953902 0.7046098 0.3589744), wk = 0.0025773 k( 281) = ( -0.2953902 0.7046098 0.3717949), wk = 0.0025773 k( 282) = ( -0.2953902 0.7046098 0.3846154), wk = 0.0025773 k( 283) = ( -0.2953902 0.7046098 0.3974359), wk = 0.0025773 k( 284) = ( -0.2953902 0.7046098 0.4102564), wk = 0.0025773 k( 285) = ( -0.2953902 0.7046098 0.4230769), wk = 0.0025773 k( 286) = ( -0.2953902 0.7046098 0.4358974), wk = 0.0025773 k( 287) = ( -0.2953902 0.7046098 0.4487179), wk = 0.0025773 k( 288) = ( -0.2953902 0.7046098 0.4615385), wk = 0.0025773 k( 289) = ( -0.2953902 0.7046098 0.4743590), wk = 0.0025773 k( 290) = ( -0.2953902 0.7046098 0.4871795), wk = 0.0025773 k( 291) = ( -0.2953902 0.7046098 0.5000000), wk = 0.0025773 k( 292) = ( -0.2953902 0.7046098 0.5000000), wk = 0.0025773 k( 293) = ( -0.3029683 0.6970317 0.5000000), wk = 0.0025773 k( 294) = ( -0.3105464 0.6894536 0.5000000), wk = 0.0025773 k( 295) = ( -0.3181246 0.6818754 0.5000000), wk = 0.0025773 k( 296) = ( -0.3257027 0.6742973 0.5000000), wk = 0.0025773 k( 297) = ( -0.3332809 0.6667191 0.5000000), wk = 0.0025773 k( 298) = ( -0.3408590 0.6591410 0.5000000), wk = 0.0025773 k( 299) = ( -0.3484371 0.6515629 0.5000000), wk = 0.0025773 k( 300) = ( -0.3560153 0.6439847 0.5000000), wk = 0.0025773 k( 301) = ( -0.3635934 0.6364066 0.5000000), wk = 0.0025773 k( 302) = ( -0.3711716 0.6288284 0.5000000), wk = 0.0025773 k( 303) = ( -0.3787497 0.6212503 0.5000000), wk = 0.0025773 k( 304) = ( -0.3863279 0.6136721 0.5000000), wk = 0.0025773 k( 305) = ( -0.3939060 0.6060940 0.5000000), wk = 0.0025773 k( 306) = ( -0.4014841 0.5985159 0.5000000), wk = 0.0025773 k( 307) = ( -0.4090623 0.5909377 0.5000000), wk = 0.0025773 k( 308) = ( -0.4166404 0.5833596 0.5000000), wk = 0.0025773 k( 309) = ( -0.4242186 0.5757814 0.5000000), wk = 0.0025773 k( 310) = ( -0.4317967 0.5682033 0.5000000), wk = 0.0025773 k( 311) = ( -0.4393749 0.5606251 0.5000000), wk = 0.0025773 k( 312) = ( -0.4469530 0.5530470 0.5000000), wk = 0.0025773 k( 313) = ( -0.4545311 0.5454689 0.5000000), wk = 0.0025773 k( 314) = ( -0.4621093 0.5378907 0.5000000), wk = 0.0025773 k( 315) = ( -0.4696874 0.5303126 0.5000000), wk = 0.0025773 k( 316) = ( -0.4772656 0.5227344 0.5000000), wk = 0.0025773 k( 317) = ( -0.4848437 0.5151563 0.5000000), wk = 0.0025773 k( 318) = ( -0.4924219 0.5075781 0.5000000), wk = 0.0025773 k( 319) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025773 k( 320) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025773 k( 321) = ( -0.5000000 0.5000000 0.4871795), wk = 0.0025773 k( 322) = ( -0.5000000 0.5000000 0.4743590), wk = 0.0025773 k( 323) = ( -0.5000000 0.5000000 0.4615385), wk = 0.0025773 k( 324) = ( -0.5000000 0.5000000 0.4487179), wk = 0.0025773 k( 325) = ( -0.5000000 0.5000000 0.4358974), wk = 0.0025773 k( 326) = ( -0.5000000 0.5000000 0.4230769), wk = 0.0025773 k( 327) = ( -0.5000000 0.5000000 0.4102564), wk = 0.0025773 k( 328) = ( -0.5000000 0.5000000 0.3974359), wk = 0.0025773 k( 329) = ( -0.5000000 0.5000000 0.3846154), wk = 0.0025773 k( 330) = ( -0.5000000 0.5000000 0.3717949), wk = 0.0025773 k( 331) = ( -0.5000000 0.5000000 0.3589744), wk = 0.0025773 k( 332) = ( -0.5000000 0.5000000 0.3461538), wk = 0.0025773 k( 333) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0025773 k( 334) = ( -0.5000000 0.5000000 0.3205128), wk = 0.0025773 k( 335) = ( -0.5000000 0.5000000 0.3076923), wk = 0.0025773 k( 336) = ( -0.5000000 0.5000000 0.2948718), wk = 0.0025773 k( 337) = ( -0.5000000 0.5000000 0.2820513), wk = 0.0025773 k( 338) = ( -0.5000000 0.5000000 0.2692308), wk = 0.0025773 k( 339) = ( -0.5000000 0.5000000 0.2564103), wk = 0.0025773 k( 340) = ( -0.5000000 0.5000000 0.2435897), wk = 0.0025773 k( 341) = ( -0.5000000 0.5000000 0.2307692), wk = 0.0025773 k( 342) = ( -0.5000000 0.5000000 0.2179487), wk = 0.0025773 k( 343) = ( -0.5000000 0.5000000 0.2051282), wk = 0.0025773 k( 344) = ( -0.5000000 0.5000000 0.1923077), wk = 0.0025773 k( 345) = ( -0.5000000 0.5000000 0.1794872), wk = 0.0025773 k( 346) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0025773 k( 347) = ( -0.5000000 0.5000000 0.1538461), wk = 0.0025773 k( 348) = ( -0.5000000 0.5000000 0.1410256), wk = 0.0025773 k( 349) = ( -0.5000000 0.5000000 0.1282051), wk = 0.0025773 k( 350) = ( -0.5000000 0.5000000 0.1153846), wk = 0.0025773 k( 351) = ( -0.5000000 0.5000000 0.1025641), wk = 0.0025773 k( 352) = ( -0.5000000 0.5000000 0.0897436), wk = 0.0025773 k( 353) = ( -0.5000000 0.5000000 0.0769231), wk = 0.0025773 k( 354) = ( -0.5000000 0.5000000 0.0641026), wk = 0.0025773 k( 355) = ( -0.5000000 0.5000000 0.0512820), wk = 0.0025773 k( 356) = ( -0.5000000 0.5000000 0.0384615), wk = 0.0025773 k( 357) = ( -0.5000000 0.5000000 0.0256410), wk = 0.0025773 k( 358) = ( -0.5000000 0.5000000 0.0128205), wk = 0.0025773 k( 359) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0025773 k( 360) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025773 k( 361) = ( -0.0178571 0.0178571 0.5000000), wk = 0.0025773 k( 362) = ( -0.0357143 0.0357143 0.5000000), wk = 0.0025773 k( 363) = ( -0.0535714 0.0535714 0.5000000), wk = 0.0025773 k( 364) = ( -0.0714286 0.0714286 0.5000000), wk = 0.0025773 k( 365) = ( -0.0892857 0.0892857 0.5000000), wk = 0.0025773 k( 366) = ( -0.1071429 0.1071429 0.5000000), wk = 0.0025773 k( 367) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0025773 k( 368) = ( -0.1428571 0.1428571 0.5000000), wk = 0.0025773 k( 369) = ( -0.1607143 0.1607143 0.5000000), wk = 0.0025773 k( 370) = ( -0.1785714 0.1785714 0.5000000), wk = 0.0025773 k( 371) = ( -0.1964286 0.1964286 0.5000000), wk = 0.0025773 k( 372) = ( -0.2142857 0.2142857 0.5000000), wk = 0.0025773 k( 373) = ( -0.2321429 0.2321429 0.5000000), wk = 0.0025773 k( 374) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0025773 k( 375) = ( -0.2678571 0.2678571 0.5000000), wk = 0.0025773 k( 376) = ( -0.2857143 0.2857143 0.5000000), wk = 0.0025773 k( 377) = ( -0.3035714 0.3035714 0.5000000), wk = 0.0025773 k( 378) = ( -0.3214286 0.3214286 0.5000000), wk = 0.0025773 k( 379) = ( -0.3392857 0.3392857 0.5000000), wk = 0.0025773 k( 380) = ( -0.3571429 0.3571429 0.5000000), wk = 0.0025773 k( 381) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0025773 k( 382) = ( -0.3928571 0.3928571 0.5000000), wk = 0.0025773 k( 383) = ( -0.4107143 0.4107143 0.5000000), wk = 0.0025773 k( 384) = ( -0.4285714 0.4285714 0.5000000), wk = 0.0025773 k( 385) = ( -0.4464286 0.4464286 0.5000000), wk = 0.0025773 k( 386) = ( -0.4642857 0.4642857 0.5000000), wk = 0.0025773 k( 387) = ( -0.4821429 0.4821429 0.5000000), wk = 0.0025773 k( 388) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025773 Dense grid: 53399 G-vectors FFT dimensions: ( 60, 60, 40) Smooth grid: 29271 G-vectors FFT dimensions: ( 50, 50, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.12 Mb ( 220, 36) NL pseudopotentials 0.23 Mb ( 110, 136) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1484) G-vector shells 0.01 Mb ( 722) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.48 Mb ( 220, 144) Each subspace H/S matrix 0.02 Mb ( 36, 36) Each matrix 0.15 Mb ( 136, 2, 36) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./SrSi.save/charge-density.dat Starting wfc are 48 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.5 secs Computing kpt #: 2 total cpu time spent up to now is 2.9 secs Computing kpt #: 3 total cpu time spent up to now is 3.2 secs Computing kpt #: 4 total cpu time spent up to now is 3.6 secs Computing kpt #: 5 total cpu time spent up to now is 4.0 secs Computing kpt #: 6 total cpu time spent up to now is 4.3 secs Computing kpt #: 7 total cpu time spent up to now is 4.7 secs Computing kpt #: 8 total cpu time spent up to now is 5.1 secs Computing kpt #: 9 total cpu time spent up to now is 5.4 secs Computing kpt #: 10 total cpu time spent up to now is 5.8 secs Computing kpt #: 11 total cpu time spent up to now is 6.1 secs Computing kpt #: 12 total cpu time spent up to now is 6.5 secs Computing kpt #: 13 total cpu time spent up to now is 6.8 secs Computing kpt #: 14 total cpu time spent up to now is 7.2 secs Computing kpt #: 15 total cpu time spent up to now is 7.5 secs Computing kpt #: 16 total cpu time spent up to now is 7.8 secs Computing kpt #: 17 total cpu time spent up to now is 8.2 secs Computing kpt #: 18 total cpu time spent up to now is 8.5 secs Computing kpt #: 19 total cpu time spent up to now is 8.9 secs Computing kpt #: 20 total cpu time spent up to now is 9.2 secs Computing kpt #: 21 total cpu time spent up to now is 10.1 secs Computing kpt #: 22 total cpu time spent up to now is 10.4 secs Computing kpt #: 23 total cpu time spent up to now is 10.7 secs Computing kpt #: 24 total cpu time spent up to now is 11.1 secs Computing kpt #: 25 total cpu time spent up to now is 11.4 secs Computing kpt #: 26 total cpu time spent up to now is 12.0 secs Computing kpt #: 27 total cpu time spent up to now is 12.3 secs Computing kpt #: 28 total cpu time spent up to now is 12.5 secs Computing kpt #: 29 total cpu time spent up to now is 12.8 secs Computing kpt #: 30 total cpu time spent up to now is 13.1 secs Computing kpt #: 31 total cpu time spent up to now is 13.3 secs Computing kpt #: 32 total cpu time spent up to now is 13.6 secs Computing kpt #: 33 total cpu time spent up to now is 13.9 secs Computing kpt #: 34 total cpu time spent up to now is 14.2 secs Computing kpt #: 35 total cpu time spent up to now is 14.4 secs Computing kpt #: 36 total cpu time spent up to now is 14.7 secs Computing kpt #: 37 total cpu time spent up to now is 14.9 secs Computing kpt #: 38 total cpu time spent up to now is 15.2 secs Computing kpt #: 39 total cpu time spent up to now is 15.5 secs Computing kpt #: 40 total cpu time spent up to now is 15.7 secs Computing kpt #: 41 total cpu time spent up to now is 16.0 secs Computing kpt #: 42 total cpu time spent up to now is 16.2 secs Computing kpt #: 43 total cpu time spent up to now is 16.5 secs Computing kpt #: 44 total cpu time spent up to now is 16.8 secs Computing kpt #: 45 total cpu time spent up to now is 17.1 secs Computing kpt #: 46 total cpu time spent up to now is 17.3 secs Computing kpt #: 47 total cpu time spent up to now is 17.6 secs Computing kpt #: 48 total cpu time spent up to now is 17.9 secs Computing kpt #: 49 total cpu time spent up to now is 18.1 secs Computing kpt #: 50 total cpu time spent up to now is 18.4 secs Computing kpt #: 51 total cpu time spent up to now is 18.7 secs Computing kpt #: 52 total cpu time spent up to now is 18.9 secs Computing kpt #: 53 total cpu time spent up to now is 19.3 secs Computing kpt #: 54 total cpu time spent up to now is 19.7 secs Computing kpt #: 55 total cpu time spent up to now is 20.2 secs Computing kpt #: 56 total cpu time spent up to now is 20.6 secs Computing kpt #: 57 total cpu time spent up to now is 21.1 secs Computing kpt #: 58 total cpu time spent up to now is 21.5 secs Computing kpt #: 59 total cpu time spent up to now is 21.9 secs Computing kpt #: 60 total cpu time spent up to now is 22.4 secs Computing kpt #: 61 total cpu time spent up to now is 22.8 secs Computing kpt #: 62 total cpu time spent up to now is 23.3 secs Computing kpt #: 63 total cpu time spent up to now is 23.8 secs Computing kpt #: 64 total cpu time spent up to now is 24.2 secs Computing kpt #: 65 total cpu time spent up to now is 24.5 secs Computing kpt #: 66 total cpu time spent up to now is 24.8 secs Computing kpt #: 67 total cpu time spent up to now is 25.0 secs Computing kpt #: 68 total cpu time spent up to now is 25.3 secs Computing kpt #: 69 total cpu time spent up to now is 25.6 secs Computing kpt #: 70 total cpu time spent up to now is 25.9 secs Computing kpt #: 71 total cpu time spent up to now is 26.1 secs Computing kpt #: 72 total cpu time spent up to now is 26.4 secs Computing kpt #: 73 total cpu time spent up to now is 26.7 secs Computing kpt #: 74 total cpu time spent up to now is 26.9 secs Computing kpt #: 75 total cpu time spent up to now is 27.2 secs Computing kpt #: 76 total cpu time spent up to now is 27.5 secs Computing kpt #: 77 total cpu time spent up to now is 27.8 secs Computing kpt #: 78 total cpu time spent up to now is 28.0 secs Computing kpt #: 79 total cpu time spent up to now is 28.4 secs Computing kpt #: 80 total cpu time spent up to now is 28.6 secs Computing kpt #: 81 total cpu time spent up to now is 29.0 secs Computing kpt #: 82 total cpu time spent up to now is 29.3 secs Computing kpt #: 83 total cpu time spent up to now is 29.5 secs Computing kpt #: 84 total cpu time spent up to now is 29.8 secs Computing kpt #: 85 total cpu time spent up to now is 30.1 secs Computing kpt #: 86 total cpu time spent up to now is 30.4 secs Computing kpt #: 87 total cpu time spent up to now is 30.7 secs Computing kpt #: 88 total cpu time spent up to now is 31.0 secs Computing kpt #: 89 total cpu time spent up to now is 31.3 secs Computing kpt #: 90 total cpu time spent up to now is 31.6 secs Computing kpt #: 91 total cpu time spent up to now is 31.9 secs Computing kpt #: 92 total cpu time spent up to now is 32.3 secs Computing kpt #: 93 total cpu time spent up to now is 32.6 secs Computing kpt #: 94 total cpu time spent up to now is 32.9 secs Computing kpt #: 95 total cpu time spent up to now is 33.2 secs Computing kpt #: 96 total cpu time spent up to now is 33.6 secs Computing kpt #: 97 total cpu time spent up to now is 33.9 secs Computing kpt #: 98 total cpu time spent up to now is 34.2 secs Computing kpt #: 99 total cpu time spent up to now is 34.5 secs Computing kpt #: 100 total cpu time spent up to now is 34.8 secs Computing kpt #: 101 total cpu time spent up to now is 35.2 secs Computing kpt #: 102 total cpu time spent up to now is 35.5 secs Computing kpt #: 103 total cpu time spent up to now is 35.9 secs Computing kpt #: 104 total cpu time spent up to now is 36.3 secs Computing kpt #: 105 total cpu time spent up to now is 36.7 secs Computing kpt #: 106 total cpu time spent up to now is 37.0 secs Computing kpt #: 107 total cpu time spent up to now is 37.3 secs Computing kpt #: 108 total cpu time spent up to now is 37.6 secs Computing kpt #: 109 total cpu time spent up to now is 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secs Computing kpt #: 156 total cpu time spent up to now is 51.1 secs Computing kpt #: 157 total cpu time spent up to now is 51.4 secs Computing kpt #: 158 total cpu time spent up to now is 51.7 secs Computing kpt #: 159 total cpu time spent up to now is 52.0 secs Computing kpt #: 160 total cpu time spent up to now is 52.3 secs Computing kpt #: 161 total cpu time spent up to now is 52.5 secs Computing kpt #: 162 total cpu time spent up to now is 52.8 secs Computing kpt #: 163 total cpu time spent up to now is 53.1 secs Computing kpt #: 164 total cpu time spent up to now is 53.4 secs Computing kpt #: 165 total cpu time spent up to now is 53.7 secs Computing kpt #: 166 total cpu time spent up to now is 53.9 secs Computing kpt #: 167 total cpu time spent up to now is 54.2 secs Computing kpt #: 168 total cpu time spent up to now is 54.5 secs Computing kpt #: 169 total cpu time spent up to now is 54.8 secs Computing kpt #: 170 total cpu time spent up to now is 55.0 secs Computing kpt #: 171 total cpu time spent up to now is 55.3 secs Computing kpt #: 172 total cpu time spent up to now is 55.6 secs Computing kpt #: 173 total cpu time spent up to now is 55.9 secs Computing kpt #: 174 total cpu time spent up to now is 56.1 secs Computing kpt #: 175 total cpu time spent up to now is 56.4 secs Computing kpt #: 176 total cpu time spent up to now is 56.7 secs Computing kpt #: 177 total cpu time spent up to now is 57.0 secs Computing kpt #: 178 total cpu time spent up to now is 57.2 secs Computing kpt #: 179 total cpu time spent up to now is 57.5 secs Computing kpt #: 180 total cpu time spent up to now is 57.8 secs Computing kpt #: 181 total cpu time spent up to now is 58.1 secs Computing kpt #: 182 total cpu time spent up to now is 58.4 secs Computing kpt #: 183 total cpu time spent up to now is 58.7 secs Computing kpt #: 184 total cpu time spent up to now is 59.1 secs Computing kpt #: 185 total cpu time spent up to now is 59.4 secs Computing kpt #: 186 total cpu time spent up 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Computing kpt #: 202 total cpu time spent up to now is 65.3 secs Computing kpt #: 203 total cpu time spent up to now is 65.6 secs Computing kpt #: 204 total cpu time spent up to now is 66.0 secs Computing kpt #: 205 total cpu time spent up to now is 66.3 secs Computing kpt #: 206 total cpu time spent up to now is 66.6 secs Computing kpt #: 207 total cpu time spent up to now is 67.0 secs Computing kpt #: 208 total cpu time spent up to now is 67.3 secs Computing kpt #: 209 total cpu time spent up to now is 67.7 secs Computing kpt #: 210 total cpu time spent up to now is 68.0 secs Computing kpt #: 211 total cpu time spent up to now is 68.5 secs Computing kpt #: 212 total cpu time spent up to now is 68.9 secs Computing kpt #: 213 total cpu time spent up to now is 69.3 secs Computing kpt #: 214 total cpu time spent up to now is 69.7 secs Computing kpt #: 215 total cpu time spent up to now is 70.1 secs Computing kpt #: 216 total cpu time spent up to now is 70.4 secs Computing kpt #: 217 total cpu time spent up to now is 70.8 secs Computing kpt #: 218 total cpu time spent up to now is 71.0 secs Computing kpt #: 219 total cpu time spent up to now is 71.3 secs Computing kpt #: 220 total cpu time spent up to now is 71.6 secs Computing kpt #: 221 total cpu time spent up to now is 71.8 secs Computing kpt #: 222 total cpu time spent up to now is 72.1 secs Computing kpt #: 223 total cpu time spent up to now is 72.4 secs Computing kpt #: 224 total cpu time spent up to now is 72.6 secs Computing kpt #: 225 total cpu time spent up to now is 72.9 secs Computing kpt #: 226 total cpu time spent up to now is 73.2 secs Computing kpt #: 227 total cpu time spent up to now is 73.5 secs Computing kpt #: 228 total cpu time spent up to now is 73.7 secs Computing kpt #: 229 total cpu time spent up to now is 74.0 secs Computing kpt #: 230 total cpu time spent up to now is 74.3 secs Computing kpt #: 231 total cpu time spent up to now is 74.5 secs Computing kpt #: 232 total cpu time spent up to now is 74.8 secs Computing kpt #: 233 total cpu time spent up to now is 75.2 secs Computing kpt #: 234 total cpu time spent up to now is 75.5 secs Computing kpt #: 235 total cpu time spent up to now is 75.8 secs Computing kpt #: 236 total cpu time spent up to now is 76.2 secs Computing kpt #: 237 total cpu time spent up to now is 76.5 secs Computing kpt #: 238 total cpu time spent up to now is 76.8 secs Computing kpt #: 239 total cpu time spent up to now is 77.1 secs Computing kpt #: 240 total cpu time spent up to now is 77.5 secs Computing kpt #: 241 total cpu time spent up to now is 77.8 secs Computing kpt #: 242 total cpu time spent up to now is 78.1 secs Computing kpt #: 243 total cpu time spent up to now is 78.3 secs Computing kpt #: 244 total cpu time spent up to now is 78.6 secs Computing kpt #: 245 total cpu time spent up to now is 78.9 secs Computing kpt #: 246 total cpu time spent up to now is 79.2 secs Computing kpt #: 247 total cpu time spent up to now is 79.4 secs Computing kpt #: 248 total cpu time spent up to now is 79.7 secs Computing kpt #: 249 total cpu time spent up to now is 80.0 secs Computing kpt #: 250 total cpu time spent up to now is 80.2 secs Computing kpt #: 251 total cpu time spent up to now is 80.5 secs Computing kpt #: 252 total cpu time spent up to now is 80.7 secs Computing kpt #: 253 total cpu time spent up to now is 81.0 secs Computing kpt #: 254 total cpu time spent up to now is 81.3 secs Computing kpt #: 255 total cpu time spent up to now is 81.5 secs Computing kpt #: 256 total cpu time spent up to now is 81.8 secs Computing kpt #: 257 total cpu time spent up to now is 82.1 secs Computing kpt #: 258 total cpu time spent up to now is 82.3 secs Computing kpt #: 259 total cpu time spent up to now is 82.6 secs Computing kpt #: 260 total cpu time spent up to now is 82.9 secs Computing kpt #: 261 total cpu time spent up to now is 83.2 secs Computing kpt #: 262 total cpu time spent up to now is 83.5 secs Computing kpt #: 263 total cpu time spent up to now is 83.7 secs Computing kpt #: 264 total cpu time spent up to now is 84.0 secs Computing kpt #: 265 total cpu time spent up to now is 84.3 secs Computing kpt #: 266 total cpu time spent up to now is 84.6 secs Computing kpt #: 267 total cpu time spent up to now is 84.9 secs Computing kpt #: 268 total cpu time spent up to now is 85.1 secs Computing kpt #: 269 total cpu time spent up to now is 85.4 secs Computing kpt #: 270 total cpu time spent up to now is 85.7 secs Computing kpt #: 271 total cpu time spent up to now is 86.0 secs Computing kpt #: 272 total cpu time spent up to now is 86.3 secs Computing kpt #: 273 total cpu time spent up to now is 86.6 secs Computing kpt #: 274 total cpu time spent up to now is 86.9 secs Computing kpt #: 275 total cpu time spent up to now is 87.3 secs Computing kpt #: 276 total cpu time spent up to now is 87.6 secs Computing kpt #: 277 total cpu time spent up to now is 88.0 secs Computing kpt #: 278 total cpu time spent up to now is 88.4 secs Computing kpt #: 279 total cpu time spent up to now is 88.7 secs Computing kpt #: 280 total cpu time spent up to now is 89.0 secs Computing kpt #: 281 total cpu time spent up to now is 89.3 secs Computing kpt #: 282 total cpu time spent up to now is 89.6 secs Computing kpt #: 283 total cpu time spent up to now is 89.9 secs Computing kpt #: 284 total cpu time spent up to now is 90.1 secs Computing kpt #: 285 total cpu time spent up to now is 90.4 secs Computing kpt #: 286 total cpu time spent up to now is 90.7 secs Computing kpt #: 287 total cpu time spent up to now is 91.0 secs Computing kpt #: 288 total cpu time spent up to now is 91.3 secs Computing kpt #: 289 total cpu time spent up to now is 91.5 secs Computing kpt #: 290 total cpu time spent up to now is 91.8 secs Computing kpt #: 291 total cpu time spent up to now is 92.1 secs Computing kpt #: 292 total cpu time spent up to now is 92.4 secs Computing kpt #: 293 total cpu time spent up to now is 92.7 secs Computing kpt #: 294 total cpu time spent up to now is 93.0 secs Computing kpt #: 295 total cpu time spent up to now is 93.2 secs Computing kpt #: 296 total cpu time spent up to now is 93.5 secs Computing kpt #: 297 total cpu time spent up to now is 93.8 secs Computing kpt #: 298 total cpu time spent up to now is 94.1 secs Computing kpt #: 299 total cpu time spent up to now is 94.3 secs Computing kpt #: 300 total cpu time spent up to now is 94.6 secs Computing kpt #: 301 total cpu time spent up to now is 94.8 secs Computing kpt #: 302 total cpu time spent up to now is 95.1 secs Computing kpt #: 303 total cpu time spent up to now is 95.4 secs Computing kpt #: 304 total cpu time spent up to now is 95.6 secs Computing kpt #: 305 total cpu time spent up to now is 95.9 secs Computing kpt #: 306 total cpu time spent up to now is 96.1 secs Computing kpt #: 307 total cpu time spent up to now is 96.4 secs Computing kpt #: 308 total cpu time spent up to now is 96.6 secs Computing kpt #: 309 total cpu time spent up to now is 96.9 secs Computing kpt #: 310 total cpu time spent up to now is 97.2 secs Computing kpt #: 311 total cpu time spent up to now is 97.4 secs Computing kpt #: 312 total cpu time spent up to now is 97.7 secs Computing kpt #: 313 total cpu time spent up to now is 98.0 secs Computing kpt #: 314 total cpu time spent up to now is 98.3 secs Computing kpt #: 315 total cpu time spent up to now is 98.5 secs Computing kpt #: 316 total cpu time spent up to now is 98.8 secs Computing kpt #: 317 total cpu time spent up to now is 99.1 secs Computing kpt #: 318 total cpu time spent up to now is 99.4 secs Computing kpt #: 319 total cpu time spent up to now is 99.6 secs Computing kpt #: 320 total cpu time spent up to now is 99.9 secs Computing kpt #: 321 total cpu time spent up to now is 100.2 secs Computing kpt #: 322 total cpu time spent up to now is 100.5 secs Computing kpt #: 323 total cpu time spent up to now is 100.8 secs Computing kpt #: 324 total cpu time spent up to now is 101.2 secs Computing kpt #: 325 total cpu time spent up to now is 101.4 secs Computing kpt #: 326 total cpu time spent up to now is 101.8 secs Computing kpt #: 327 total cpu time spent up to now is 102.1 secs Computing kpt #: 328 total cpu time spent up to now is 102.4 secs Computing kpt #: 329 total cpu time spent up to now is 102.7 secs Computing kpt #: 330 total cpu time spent up to now is 103.0 secs Computing kpt #: 331 total cpu time spent up to now is 103.4 secs Computing kpt #: 332 total cpu time spent up to now is 103.7 secs Computing kpt #: 333 total cpu time spent up to now is 104.0 secs Computing kpt #: 334 total cpu time spent up to now is 104.3 secs Computing kpt #: 335 total cpu time spent up to now is 104.6 secs Computing kpt #: 336 total cpu time spent up to now is 104.9 secs Computing kpt #: 337 total cpu time spent up to now is 105.2 secs Computing kpt #: 338 total cpu time spent up to now is 105.6 secs Computing kpt #: 339 total cpu time spent up to now is 105.9 secs Computing kpt #: 340 total cpu time spent up to now is 106.2 secs Computing kpt #: 341 total cpu time spent up to now is 106.5 secs Computing kpt #: 342 total cpu time spent up to now is 106.9 secs Computing kpt #: 343 total cpu time spent up to now is 107.2 secs Computing kpt #: 344 total cpu time spent up to now is 107.5 secs Computing kpt #: 345 total cpu time spent up to now is 107.8 secs Computing kpt #: 346 total cpu time spent up to now is 108.2 secs Computing kpt #: 347 total cpu time spent up to now is 108.5 secs Computing kpt #: 348 total cpu time spent up to now is 108.8 secs Computing kpt #: 349 total cpu time spent up to now is 109.1 secs Computing kpt #: 350 total cpu time spent up to now is 109.5 secs Computing kpt #: 351 total cpu time spent up to now is 109.8 secs Computing kpt #: 352 total cpu time spent up to now is 110.1 secs Computing kpt #: 353 total cpu time spent up to now is 110.5 secs Computing kpt #: 354 total cpu time spent up to now is 110.8 secs Computing kpt #: 355 total cpu time spent up to now is 111.1 secs Computing kpt #: 356 total cpu time spent up to now is 111.3 secs Computing kpt #: 357 total cpu time spent up to now is 111.6 secs Computing kpt #: 358 total cpu time spent up to now is 111.9 secs Computing kpt #: 359 total cpu time spent up to now is 112.1 secs Computing kpt #: 360 total cpu time spent up to now is 112.4 secs Computing kpt #: 361 total cpu time spent up to now is 112.7 secs Computing kpt #: 362 total cpu time spent up to now is 113.0 secs Computing kpt #: 363 total cpu time spent up to now is 113.2 secs Computing kpt #: 364 total cpu time spent up to now is 113.5 secs Computing kpt #: 365 total cpu time spent up to now is 113.8 secs Computing kpt #: 366 total cpu time spent up to now is 114.1 secs Computing kpt #: 367 total cpu time spent up to now is 114.4 secs Computing kpt #: 368 total cpu time spent up to now is 114.6 secs Computing kpt #: 369 total cpu time spent up to now is 114.9 secs Computing kpt #: 370 total cpu time spent up to now is 115.2 secs Computing kpt #: 371 total cpu time spent up to now is 115.5 secs Computing kpt #: 372 total cpu time spent up to now is 115.8 secs Computing kpt #: 373 total cpu time spent up to now is 116.0 secs Computing kpt #: 374 total cpu time spent up to now is 116.3 secs Computing kpt #: 375 total cpu time spent up to now is 116.6 secs Computing kpt #: 376 total cpu time spent up to now is 116.9 secs Computing kpt #: 377 total cpu time spent up to now is 117.1 secs Computing kpt #: 378 total cpu time spent up to now is 117.4 secs Computing kpt #: 379 total cpu time spent up to now is 117.7 secs Computing kpt #: 380 total cpu time spent up to now is 118.0 secs Computing kpt #: 381 total cpu time spent up to now is 118.3 secs Computing kpt #: 382 total cpu time spent up to now is 118.6 secs Computing kpt #: 383 total cpu time spent up to now is 118.8 secs Computing kpt #: 384 total cpu time spent up to now is 119.1 secs Computing kpt #: 385 total cpu time spent up to now is 119.4 secs Computing kpt #: 386 total cpu time spent up to now is 119.7 secs Computing kpt #: 387 total cpu time spent up to now is 119.9 secs Computing kpt #: 388 total cpu time spent up to now is 120.2 secs ethr = 3.57E-08, avg # of iterations = 20.9 total cpu time spent up to now is 120.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3663 PWs) bands (ev): -27.5910 -27.5910 -27.5403 -27.5403 -10.4985 -10.4985 -10.3070 -10.3070 -9.4455 -9.4455 -9.2743 -9.2743 -9.1997 -9.1997 -9.0950 -9.0950 -1.8191 -1.8191 2.7085 2.7085 5.6824 5.6824 5.7221 5.7221 6.1264 6.1264 7.4991 7.4991 8.9308 8.9308 8.9850 8.9850 10.4603 10.4603 10.9307 10.9307 k = 0.0076 0.0178-0.0000 ( 3663 PWs) bands (ev): -27.5910 -27.5910 -27.5403 -27.5403 -10.4984 -10.4984 -10.3071 -10.3071 -9.4454 -9.4454 -9.2743 -9.2743 -9.1999 -9.1999 -9.0950 -9.0950 -1.8181 -1.8181 2.7096 2.7096 5.6182 5.6182 5.7851 5.7851 6.1259 6.1259 7.4995 7.4995 8.9251 8.9251 8.9841 8.9841 10.4710 10.4710 10.9232 10.9232 k = 0.0151 0.0356-0.0000 ( 3663 PWs) bands (ev): -27.5909 -27.5909 -27.5404 -27.5404 -10.4983 -10.4983 -10.3075 -10.3075 -9.4453 -9.4453 -9.2744 -9.2744 -9.2003 -9.2003 -9.0951 -9.0951 -1.8153 -1.8153 2.7128 2.7128 5.5372 5.5372 5.8631 5.8631 6.1242 6.1242 7.5006 7.5006 8.9039 8.9039 8.9870 8.9870 10.5022 10.5022 10.9021 10.9021 k = 0.0227 0.0533-0.0000 ( 3659 PWs) bands (ev): -27.5908 -27.5908 -27.5404 -27.5404 -10.4982 -10.4982 -10.3081 -10.3081 -9.4451 -9.4451 -9.2747 -9.2747 -9.2010 -9.2010 -9.0952 -9.0952 -1.8107 -1.8107 2.7182 2.7182 5.4550 5.4550 5.9399 5.9399 6.1214 6.1214 7.5022 7.5022 8.8646 8.8646 8.9986 8.9986 10.5513 10.5513 10.8713 10.8713 k = 0.0303 0.0711-0.0000 ( 3647 PWs) bands (ev): -27.5907 -27.5907 -27.5405 -27.5405 -10.4980 -10.4980 -10.3089 -10.3089 -9.4447 -9.4447 -9.2750 -9.2750 -9.2020 -9.2020 -9.0953 -9.0953 -1.8042 -1.8042 2.7256 2.7256 5.3727 5.3727 6.0147 6.0147 6.1175 6.1175 7.5039 7.5039 8.8115 8.8115 9.0184 9.0184 10.6148 10.6148 10.8344 10.8344 k = 0.0379 0.0889-0.0000 ( 3643 PWs) bands (ev): -27.5906 -27.5906 -27.5406 -27.5406 -10.4977 -10.4977 -10.3100 -10.3100 -9.4443 -9.4443 -9.2754 -9.2754 -9.2032 -9.2032 -9.0955 -9.0955 -1.7960 -1.7960 2.7351 2.7351 5.2907 5.2907 6.0864 6.0864 6.1132 6.1132 7.5051 7.5051 8.7496 8.7496 9.0454 9.0454 10.6890 10.6890 10.7950 10.7950 k = 0.0454 0.1067-0.0000 ( 3647 PWs) bands (ev): -27.5904 -27.5904 -27.5407 -27.5407 -10.4973 -10.4973 -10.3114 -10.3114 -9.4438 -9.4438 -9.2760 -9.2760 -9.2047 -9.2047 -9.0958 -9.0958 -1.7861 -1.7861 2.7466 2.7466 5.2094 5.2094 6.1057 6.1057 6.1573 6.1573 7.5050 7.5050 8.6830 8.6830 9.0790 9.0790 10.7514 10.7514 10.7743 10.7743 k = 0.0530 0.1244-0.0000 ( 3655 PWs) bands (ev): -27.5902 -27.5902 -27.5408 -27.5408 -10.4969 -10.4969 -10.3129 -10.3129 -9.4433 -9.4433 -9.2766 -9.2766 -9.2063 -9.2063 -9.0960 -9.0960 -1.7746 -1.7746 2.7600 2.7600 5.1291 5.1291 6.0990 6.0990 6.2233 6.2233 7.5025 7.5025 8.6154 8.6154 9.1191 9.1191 10.7145 10.7145 10.8584 10.8584 k = 0.0606 0.1422-0.0000 ( 3649 PWs) bands (ev): -27.5900 -27.5900 -27.5410 -27.5410 -10.4965 -10.4965 -10.3147 -10.3147 -9.4426 -9.4426 -9.2773 -9.2773 -9.2082 -9.2082 -9.0963 -9.0963 -1.7615 -1.7615 2.7752 2.7752 5.0501 5.0501 6.0911 6.0911 6.2860 6.2860 7.4962 7.4962 8.5502 8.5502 9.1655 9.1655 10.6774 10.6774 10.7819 10.7819 k = 0.0682 0.1600-0.0000 ( 3649 PWs) bands (ev): -27.5897 -27.5897 -27.5412 -27.5412 -10.4959 -10.4959 -10.3166 -10.3166 -9.4418 -9.4418 -9.2782 -9.2782 -9.2102 -9.2102 -9.0967 -9.0967 -1.7469 -1.7469 2.7922 2.7922 4.9727 4.9727 6.0822 6.0822 6.3449 6.3449 7.4848 7.4848 8.4903 8.4903 9.2181 9.2181 10.6427 10.6427 10.7025 10.7025 k = 0.0757 0.1778-0.0000 ( 3645 PWs) bands (ev): -27.5894 -27.5894 -27.5414 -27.5414 -10.4953 -10.4953 -10.3188 -10.3188 -9.4410 -9.4410 -9.2792 -9.2792 -9.2123 -9.2123 -9.0971 -9.0971 -1.7311 -1.7311 2.8108 2.8108 4.8972 4.8972 6.0726 6.0726 6.3999 6.3999 7.4665 7.4665 8.4386 8.4386 9.2768 9.2768 10.6103 10.6103 10.6265 10.6265 k = 0.0833 0.1955-0.0000 ( 3645 PWs) bands (ev): -27.5891 -27.5891 -27.5416 -27.5416 -10.4947 -10.4947 -10.3211 -10.3211 -9.4401 -9.4401 -9.2803 -9.2803 -9.2145 -9.2145 -9.0976 -9.0976 -1.7140 -1.7140 2.8308 2.8308 4.8238 4.8238 6.0622 6.0622 6.4509 6.4509 7.4400 7.4400 8.3972 8.3972 9.3413 9.3413 10.5501 10.5501 10.5845 10.5845 k = 0.0909 0.2133-0.0000 ( 3653 PWs) bands (ev): -27.5888 -27.5888 -27.5418 -27.5418 -10.4940 -10.4940 -10.3237 -10.3237 -9.4391 -9.4391 -9.2815 -9.2815 -9.2167 -9.2167 -9.0981 -9.0981 -1.6959 -1.6959 2.8522 2.8522 4.7528 4.7528 6.0512 6.0512 6.4977 6.4977 7.4045 7.4045 8.3677 8.3677 9.4114 9.4114 10.4789 10.4789 10.5599 10.5599 k = 0.0985 0.2311-0.0000 ( 3659 PWs) bands (ev): -27.5884 -27.5884 -27.5421 -27.5421 -10.4932 -10.4932 -10.3263 -10.3263 -9.4380 -9.4380 -9.2829 -9.2829 -9.2189 -9.2189 -9.0987 -9.0987 -1.6769 -1.6769 2.8747 2.8747 4.6844 4.6844 6.0396 6.0396 6.5404 6.5404 7.3601 7.3601 8.3506 8.3506 9.4868 9.4868 10.4106 10.4106 10.5394 10.5394 k = 0.1060 0.2489-0.0000 ( 3655 PWs) bands (ev): -27.5880 -27.5880 -27.5424 -27.5424 -10.4923 -10.4923 -10.3291 -10.3291 -9.4368 -9.4368 -9.2844 -9.2844 -9.2210 -9.2210 -9.0994 -9.0994 -1.6570 -1.6570 2.8982 2.8982 4.6188 4.6188 6.0276 6.0276 6.5790 6.5790 7.3075 7.3075 8.3453 8.3453 9.5672 9.5672 10.3453 10.3453 10.5228 10.5228 k = 0.1136 0.2666-0.0000 ( 3649 PWs) bands (ev): -27.5876 -27.5876 -27.5427 -27.5427 -10.4914 -10.4914 -10.3321 -10.3321 -9.4356 -9.4356 -9.2861 -9.2861 -9.2230 -9.2230 -9.1001 -9.1001 -1.6366 -1.6366 2.9225 2.9225 4.5563 4.5563 6.0151 6.0151 6.6136 6.6136 7.2484 7.2484 8.3508 8.3508 9.6520 9.6520 10.2832 10.2832 10.5102 10.5102 k = 0.1212 0.2844-0.0000 ( 3645 PWs) bands (ev): -27.5872 -27.5872 -27.5430 -27.5430 -10.4904 -10.4904 -10.3351 -10.3351 -9.4343 -9.4343 -9.2880 -9.2880 -9.2249 -9.2249 -9.1009 -9.1009 -1.6156 -1.6156 2.9473 2.9473 4.4971 4.4971 6.0024 6.0024 6.6443 6.6443 7.1845 7.1845 8.3656 8.3656 9.7409 9.7409 10.2244 10.2244 10.5016 10.5016 k = 0.1288 0.3022-0.0000 ( 3653 PWs) bands (ev): -27.5867 -27.5867 -27.5433 -27.5433 -10.4894 -10.4894 -10.3382 -10.3382 -9.4329 -9.4329 -9.2901 -9.2901 -9.2267 -9.2267 -9.1018 -9.1018 -1.5944 -1.5944 2.9724 2.9724 4.4414 4.4414 5.9896 5.9896 6.6713 6.6713 7.1176 7.1176 8.3880 8.3880 9.8331 9.8331 10.1690 10.1690 10.4968 10.4968 k = 0.1363 0.3200-0.0000 ( 3665 PWs) bands (ev): -27.5862 -27.5862 -27.5437 -27.5437 -10.4883 -10.4883 -10.3414 -10.3414 -9.4315 -9.4315 -9.2923 -9.2923 -9.2282 -9.2282 -9.1027 -9.1027 -1.5731 -1.5731 2.9974 2.9974 4.3893 4.3893 5.9766 5.9766 6.6948 6.6948 7.0492 7.0492 8.4167 8.4167 9.9278 9.9278 10.1171 10.1171 10.4959 10.4959 k = 0.1439 0.3377-0.0000 ( 3657 PWs) bands (ev): -27.5858 -27.5858 -27.5441 -27.5441 -10.4872 -10.4872 -10.3447 -10.3447 -9.4299 -9.4299 -9.2946 -9.2946 -9.2295 -9.2295 -9.1037 -9.1037 -1.5519 -1.5519 3.0221 3.0221 4.3411 4.3411 5.9637 5.9637 6.7150 6.7150 6.9809 6.9809 8.4501 8.4501 10.0219 10.0219 10.0710 10.0710 10.4988 10.4988 k = 0.1515 0.3555-0.0000 ( 3641 PWs) bands (ev): -27.5853 -27.5853 -27.5444 -27.5444 -10.4859 -10.4859 -10.3480 -10.3480 -9.4284 -9.4284 -9.2971 -9.2971 -9.2306 -9.2306 -9.1048 -9.1048 -1.5309 -1.5309 3.0462 3.0462 4.2969 4.2969 5.9510 5.9510 6.7322 6.7322 6.9139 6.9139 8.4873 8.4873 10.0203 10.0203 10.1246 10.1246 10.5054 10.5054 k = 0.1591 0.3733-0.0000 ( 3641 PWs) bands (ev): -27.5847 -27.5847 -27.5449 -27.5449 -10.4846 -10.4846 -10.3513 -10.3513 -9.4267 -9.4267 -9.2997 -9.2997 -9.2314 -9.2314 -9.1059 -9.1059 -1.5103 -1.5103 3.0693 3.0693 4.2569 4.2569 5.9384 5.9384 6.7463 6.7463 6.8495 6.8495 8.5271 8.5271 9.9792 9.9792 10.2194 10.2194 10.5155 10.5155 k = 0.1666 0.3911-0.0000 ( 3641 PWs) bands (ev): -27.5842 -27.5842 -27.5453 -27.5453 -10.4833 -10.4833 -10.3546 -10.3546 -9.4250 -9.4250 -9.3024 -9.3024 -9.2321 -9.2321 -9.1072 -9.1072 -1.4903 -1.4903 3.0910 3.0910 4.2212 4.2212 5.9262 5.9262 6.7562 6.7562 6.7900 6.7900 8.5686 8.5686 9.9409 9.9409 10.3082 10.3082 10.5290 10.5290 k = 0.1742 0.4088-0.0000 ( 3643 PWs) bands (ev): -27.5837 -27.5837 -27.5457 -27.5457 -10.4819 -10.4819 -10.3579 -10.3579 -9.4233 -9.4233 -9.3051 -9.3051 -9.2325 -9.2325 -9.1085 -9.1085 -1.4711 -1.4711 3.1111 3.1111 4.1899 4.1899 5.9144 5.9144 6.7274 6.7274 6.7710 6.7710 8.6108 8.6108 9.9059 9.9059 10.3752 10.3752 10.5460 10.5460 k = 0.1818 0.4266-0.0000 ( 3631 PWs) bands (ev): -27.5831 -27.5831 -27.5462 -27.5462 -10.4804 -10.4804 -10.3611 -10.3611 -9.4215 -9.4215 -9.3079 -9.3079 -9.2326 -9.2326 -9.1098 -9.1098 -1.4528 -1.4528 3.1290 3.1290 4.1633 4.1633 5.9032 5.9032 6.6761 6.6761 6.7774 6.7774 8.6529 8.6529 9.8744 9.8744 10.3857 10.3857 10.5682 10.5682 k = 0.1894 0.4444-0.0000 ( 3629 PWs) bands (ev): -27.5826 -27.5826 -27.5466 -27.5466 -10.4789 -10.4789 -10.3643 -10.3643 -9.4196 -9.4196 -9.3106 -9.3106 -9.2326 -9.2326 -9.1113 -9.1113 -1.4356 -1.4356 3.1444 3.1444 4.1414 4.1414 5.8925 5.8925 6.6293 6.6293 6.7829 6.7829 8.6940 8.6940 9.8463 9.8463 10.3395 10.3395 10.5888 10.5888 k = 0.1969 0.4622-0.0000 ( 3634 PWs) bands (ev): -27.5820 -27.5820 -27.5471 -27.5471 -10.4773 -10.4773 -10.3675 -10.3675 -9.4177 -9.4177 -9.3133 -9.3133 -9.2324 -9.2324 -9.1128 -9.1128 -1.4195 -1.4195 3.1569 3.1569 4.1242 4.1242 5.8826 5.8826 6.5884 6.5884 6.7871 6.7871 8.7332 8.7332 9.8218 9.8218 10.2712 10.2712 10.5347 10.5347 k = 0.2045 0.4799-0.0000 ( 3634 PWs) bands (ev): -27.5815 -27.5815 -27.5476 -27.5476 -10.4756 -10.4756 -10.3705 -10.3705 -9.4158 -9.4158 -9.3159 -9.3159 -9.2321 -9.2321 -9.1144 -9.1144 -1.4049 -1.4049 3.1663 3.1663 4.1120 4.1120 5.8733 5.8733 6.5540 6.5540 6.7899 6.7899 8.7695 8.7695 9.8007 9.8007 10.1959 10.1959 10.4783 10.4783 k = 0.2121 0.4977-0.0000 ( 3636 PWs) bands (ev): -27.5809 -27.5809 -27.5481 -27.5481 -10.4739 -10.4739 -10.3735 -10.3735 -9.4138 -9.4138 -9.3183 -9.3183 -9.2316 -9.2316 -9.1161 -9.1161 -1.3916 -1.3916 3.1721 3.1721 4.1046 4.1046 5.8649 5.8649 6.5268 6.5268 6.7916 6.7916 8.8020 8.8020 9.7831 9.7831 10.1180 10.1180 10.4241 10.4241 k = 0.2196 0.5155-0.0000 ( 3636 PWs) bands (ev): -27.5803 -27.5803 -27.5486 -27.5486 -10.4721 -10.4721 -10.3763 -10.3763 -9.4118 -9.4118 -9.3206 -9.3206 -9.2309 -9.2309 -9.1178 -9.1178 -1.3799 -1.3799 3.1741 3.1741 4.1022 4.1022 5.8574 5.8574 6.5069 6.5069 6.7923 6.7923 8.8297 8.8297 9.7690 9.7690 10.0391 10.0391 10.3730 10.3730 k = 0.2272 0.5333-0.0000 ( 3628 PWs) bands (ev): -27.5798 -27.5798 -27.5492 -27.5492 -10.4703 -10.4703 -10.3790 -10.3790 -9.4098 -9.4098 -9.3228 -9.3228 -9.2302 -9.2302 -9.1196 -9.1196 -1.3698 -1.3698 3.1722 3.1722 4.1047 4.1047 5.8509 5.8509 6.4949 6.4949 6.7923 6.7923 8.8516 8.8516 9.7584 9.7584 9.9599 9.9599 10.3260 10.3260 k = 0.2348 0.5510-0.0000 ( 3638 PWs) bands (ev): -27.5792 -27.5792 -27.5497 -27.5497 -10.4685 -10.4685 -10.3816 -10.3816 -9.4078 -9.4078 -9.3247 -9.3247 -9.2293 -9.2293 -9.1214 -9.1214 -1.3614 -1.3614 3.1662 3.1662 4.1122 4.1122 5.8453 5.8453 6.4909 6.4909 6.7917 6.7917 8.8669 8.8669 9.7512 9.7512 9.8808 9.8808 10.2839 10.2839 k = 0.2424 0.5688-0.0000 ( 3638 PWs) bands (ev): -27.5787 -27.5787 -27.5503 -27.5503 -10.4666 -10.4666 -10.3840 -10.3840 -9.4058 -9.4058 -9.3264 -9.3264 -9.2284 -9.2284 -9.1233 -9.1233 -1.3547 -1.3547 3.1561 3.1561 4.1246 4.1246 5.8407 5.8407 6.4950 6.4950 6.7906 6.7906 8.8748 8.8748 9.7472 9.7472 9.8023 9.8023 10.2477 10.2477 k = 0.2499 0.5866-0.0000 ( 3638 PWs) bands (ev): -27.5781 -27.5781 -27.5508 -27.5508 -10.4646 -10.4646 -10.3863 -10.3863 -9.4038 -9.4038 -9.3279 -9.3279 -9.2274 -9.2274 -9.1252 -9.1252 -1.3497 -1.3497 3.1419 3.1419 4.1419 4.1419 5.8372 5.8372 6.5073 6.5073 6.7893 6.7893 8.8747 8.8747 9.7218 9.7218 9.7490 9.7490 10.2179 10.2179 k = 0.2575 0.6044-0.0000 ( 3648 PWs) bands (ev): -27.5776 -27.5776 -27.5514 -27.5514 -10.4627 -10.4627 -10.3884 -10.3884 -9.4018 -9.4018 -9.3291 -9.3291 -9.2263 -9.2263 -9.1272 -9.1272 -1.3464 -1.3464 3.1237 3.1237 4.1639 4.1639 5.8347 5.8347 6.5276 6.5276 6.7879 6.7879 8.8663 8.8663 9.6446 9.6446 9.7513 9.7513 10.1951 10.1951 k = 0.2651 0.6221-0.0000 ( 3638 PWs) bands (ev): -27.5770 -27.5770 -27.5519 -27.5519 -10.4606 -10.4606 -10.3904 -10.3904 -9.3998 -9.3998 -9.3301 -9.3301 -9.2252 -9.2252 -9.1292 -9.1292 -1.3448 -1.3448 3.1018 3.1018 4.1906 4.1906 5.8333 5.8333 6.5560 6.5560 6.7864 6.7864 8.8497 8.8497 9.5671 9.5671 9.7578 9.7578 10.1795 10.1795 k = 0.2727 0.6399-0.0000 ( 3636 PWs) bands (ev): -27.5765 -27.5765 -27.5525 -27.5525 -10.4586 -10.4586 -10.3922 -10.3922 -9.3979 -9.3979 -9.3308 -9.3308 -9.2240 -9.2240 -9.1313 -9.1313 -1.3448 -1.3448 3.0763 3.0763 4.2218 4.2218 5.8331 5.8331 6.5921 6.5921 6.7851 6.7851 8.8254 8.8254 9.4900 9.4900 9.7678 9.7678 10.1708 10.1708 k = 0.2802 0.6577-0.0000 ( 3632 PWs) bands (ev): -27.5760 -27.5760 -27.5530 -27.5530 -10.4565 -10.4565 -10.3938 -10.3938 -9.3960 -9.3960 -9.3313 -9.3313 -9.2228 -9.2228 -9.1333 -9.1333 -1.3465 -1.3465 3.0477 3.0477 4.2574 4.2574 5.8339 5.8339 6.6357 6.6357 6.7840 6.7840 8.7941 8.7941 9.4134 9.4134 9.7812 9.7812 10.1687 10.1687 k = 0.2878 0.6755-0.0000 ( 3640 PWs) bands (ev): -27.5755 -27.5755 -27.5536 -27.5536 -10.4544 -10.4544 -10.3953 -10.3953 -9.3941 -9.3941 -9.3315 -9.3315 -9.2216 -9.2216 -9.1354 -9.1354 -1.3497 -1.3497 3.0161 3.0161 4.2973 4.2973 5.8357 5.8357 6.6864 6.6864 6.7832 6.7832 8.7567 8.7567 9.3373 9.3373 9.7980 9.7980 10.1726 10.1726 k = 0.2954 0.6932-0.0000 ( 3632 PWs) bands (ev): -27.5750 -27.5750 -27.5542 -27.5542 -10.4523 -10.4523 -10.3966 -10.3966 -9.3922 -9.3922 -9.3314 -9.3314 -9.2204 -9.2204 -9.1375 -9.1375 -1.3543 -1.3543 2.9821 2.9821 4.3412 4.3412 5.8387 5.8387 6.7436 6.7436 6.7833 6.7833 8.7143 8.7143 9.2618 9.2618 9.8180 9.8180 10.1816 10.1816 k = 0.2954 0.6932-0.0000 ( 3632 PWs) bands (ev): -27.5750 -27.5750 -27.5542 -27.5542 -10.4523 -10.4523 -10.3966 -10.3966 -9.3922 -9.3922 -9.3314 -9.3314 -9.2204 -9.2204 -9.1375 -9.1375 -1.3543 -1.3543 2.9821 2.9821 4.3412 4.3412 5.8387 5.8387 6.7436 6.7436 6.7833 6.7833 8.7143 8.7143 9.2618 9.2618 9.8180 9.8180 10.1816 10.1816 k = 0.2769 0.6932-0.0000 ( 3632 PWs) bands (ev): -27.5752 -27.5752 -27.5539 -27.5539 -10.4532 -10.4532 -10.3960 -10.3960 -9.3930 -9.3930 -9.3314 -9.3314 -9.2209 -9.2209 -9.1367 -9.1367 -1.3525 -1.3525 2.9948 2.9948 4.3257 4.3257 5.8375 5.8375 6.6919 6.6919 6.8113 6.8113 8.7302 8.7302 9.2895 9.2895 9.8090 9.8090 10.1834 10.1834 k = 0.2585 0.6932-0.0000 ( 3628 PWs) bands (ev): -27.5754 -27.5754 -27.5537 -27.5537 -10.4541 -10.4541 -10.3954 -10.3954 -9.3940 -9.3940 -9.3312 -9.3312 -9.2214 -9.2214 -9.1358 -9.1358 -1.3511 -1.3511 3.0064 3.0064 4.3137 4.3137 5.8367 5.8367 6.6292 6.6292 6.8484 6.8484 8.7445 8.7445 9.3153 9.3153 9.7983 9.7983 10.1980 10.1980 k = 0.2400 0.6932-0.0000 ( 3627 PWs) bands (ev): -27.5757 -27.5757 -27.5534 -27.5534 -10.4551 -10.4551 -10.3946 -10.3946 -9.3951 -9.3951 -9.3308 -9.3308 -9.2219 -9.2219 -9.1349 -9.1349 -1.3500 -1.3500 3.0167 3.0167 4.3055 4.3055 5.8361 5.8361 6.5660 6.5660 6.8844 6.8844 8.7574 8.7574 9.3379 9.3379 9.7860 9.7860 10.2262 10.2262 k = 0.2215 0.6932-0.0000 ( 3627 PWs) bands (ev): -27.5759 -27.5759 -27.5531 -27.5531 -10.4561 -10.4561 -10.3938 -10.3938 -9.3963 -9.3963 -9.3304 -9.3304 -9.2224 -9.2224 -9.1339 -9.1339 -1.3492 -1.3492 3.0255 3.0255 4.3009 4.3009 5.8358 5.8358 6.5036 6.5036 6.9181 6.9181 8.7693 8.7693 9.3565 9.3565 9.7723 9.7723 10.2682 10.2682 k = 0.2031 0.6932-0.0000 ( 3630 PWs) bands (ev): -27.5762 -27.5762 -27.5528 -27.5528 -10.4572 -10.4572 -10.3930 -10.3930 -9.3975 -9.3975 -9.3298 -9.3298 -9.2229 -9.2229 -9.1329 -9.1329 -1.3486 -1.3486 3.0329 3.0329 4.2999 4.2999 5.8357 5.8357 6.4428 6.4428 6.9493 6.9493 8.7802 8.7802 9.3710 9.3710 9.7577 9.7577 10.3232 10.3232 k = 0.1846 0.6932-0.0000 ( 3629 PWs) bands (ev): -27.5765 -27.5765 -27.5525 -27.5525 -10.4581 -10.4581 -10.3922 -10.3922 -9.3988 -9.3988 -9.3292 -9.3292 -9.2234 -9.2234 -9.1320 -9.1320 -1.3482 -1.3482 3.0387 3.0387 4.3021 4.3021 5.8358 5.8358 6.3840 6.3840 6.9778 6.9778 8.7902 8.7902 9.3820 9.3820 9.7425 9.7425 10.3900 10.3900 k = 0.1662 0.6932-0.0000 ( 3625 PWs) bands (ev): -27.5768 -27.5768 -27.5522 -27.5522 -10.4591 -10.4591 -10.3914 -10.3914 -9.4000 -9.4000 -9.3286 -9.3286 -9.2238 -9.2238 -9.1311 -9.1311 -1.3480 -1.3480 3.0432 3.0432 4.3073 4.3073 5.8359 5.8359 6.3280 6.3280 7.0034 7.0034 8.7995 8.7995 9.3901 9.3901 9.7272 9.7272 10.4670 10.4670 k = 0.1477 0.6932-0.0000 ( 3626 PWs) bands (ev): -27.5770 -27.5770 -27.5519 -27.5519 -10.4599 -10.4599 -10.3907 -10.3907 -9.4012 -9.4012 -9.3280 -9.3280 -9.2242 -9.2242 -9.1303 -9.1303 -1.3479 -1.3479 3.0464 3.0464 4.3147 4.3147 5.8362 5.8362 6.2753 6.2753 7.0260 7.0260 8.8081 8.8081 9.3962 9.3962 9.7122 9.7122 10.5525 10.5525 k = 0.1292 0.6932-0.0000 ( 3625 PWs) bands (ev): -27.5773 -27.5773 -27.5517 -27.5517 -10.4607 -10.4607 -10.3900 -10.3900 -9.4023 -9.4023 -9.3275 -9.3275 -9.2246 -9.2246 -9.1295 -9.1295 -1.3479 -1.3479 3.0486 3.0486 4.3238 4.3238 5.8366 5.8366 6.2266 6.2266 7.0458 7.0458 8.8158 8.8158 9.4009 9.4009 9.6979 9.6979 10.6448 10.6448 k = 0.1108 0.6932-0.0000 ( 3627 PWs) bands (ev): -27.5775 -27.5775 -27.5515 -27.5515 -10.4614 -10.4614 -10.3894 -10.3894 -9.4033 -9.4033 -9.3269 -9.3269 -9.2249 -9.2249 -9.1288 -9.1288 -1.3480 -1.3480 3.0498 3.0498 4.3339 4.3339 5.8369 5.8369 6.1825 6.1825 7.0626 7.0626 8.8226 8.8226 9.4047 9.4047 9.6847 9.6847 10.7423 10.7423 k = 0.0923 0.6932-0.0000 ( 3632 PWs) bands (ev): -27.5777 -27.5777 -27.5513 -27.5513 -10.4620 -10.4620 -10.3888 -10.3888 -9.4042 -9.4042 -9.3265 -9.3265 -9.2252 -9.2252 -9.1282 -9.1282 -1.3481 -1.3481 3.0505 3.0505 4.3442 4.3442 5.8373 5.8373 6.1437 6.1437 7.0767 7.0767 8.8285 8.8285 9.4079 9.4079 9.6729 9.6729 10.8432 10.8432 k = 0.0738 0.6932-0.0000 ( 3634 PWs) bands (ev): -27.5778 -27.5778 -27.5511 -27.5511 -10.4625 -10.4625 -10.3884 -10.3884 -9.4050 -9.4050 -9.3260 -9.3260 -9.2255 -9.2255 -9.1277 -9.1277 -1.3482 -1.3482 3.0507 3.0507 4.3540 4.3540 5.8376 5.8376 6.1109 6.1109 7.0880 7.0880 8.8334 8.8334 9.4106 9.4106 9.6629 9.6629 10.9455 10.9455 k = 0.0554 0.6932-0.0000 ( 3638 PWs) bands (ev): -27.5779 -27.5779 -27.5510 -27.5510 -10.4629 -10.4629 -10.3880 -10.3880 -9.4056 -9.4056 -9.3257 -9.3257 -9.2256 -9.2256 -9.1273 -9.1273 -1.3483 -1.3483 3.0506 3.0506 4.3625 4.3625 5.8379 5.8379 6.0846 6.0846 7.0967 7.0967 8.8372 8.8372 9.4128 9.4128 9.6549 9.6549 11.0448 11.0448 k = 0.0369 0.6932-0.0000 ( 3648 PWs) bands (ev): -27.5780 -27.5780 -27.5509 -27.5509 -10.4632 -10.4632 -10.3878 -10.3878 -9.4060 -9.4060 -9.3255 -9.3255 -9.2258 -9.2258 -9.1270 -9.1270 -1.3484 -1.3484 3.0504 3.0504 4.3690 4.3690 5.8381 5.8381 6.0654 6.0654 7.1029 7.1029 8.8400 8.8400 9.4145 9.4145 9.6490 9.6490 11.1221 11.1221 k = 0.0185 0.6932-0.0000 ( 3656 PWs) bands (ev): -27.5781 -27.5781 -27.5508 -27.5508 -10.4634 -10.4634 -10.3876 -10.3876 -9.4063 -9.4063 -9.3253 -9.3253 -9.2259 -9.2259 -9.1268 -9.1268 -1.3484 -1.3484 3.0503 3.0503 4.3732 4.3732 5.8382 5.8382 6.0537 6.0537 7.1065 7.1065 8.8416 8.8416 9.4156 9.4156 9.6454 9.6454 11.1478 11.1478 k = 0.0000 0.6932-0.0000 ( 3654 PWs) bands (ev): -27.5781 -27.5781 -27.5508 -27.5508 -10.4635 -10.4635 -10.3876 -10.3876 -9.4063 -9.4063 -9.3253 -9.3253 -9.2259 -9.2259 -9.1267 -9.1267 -1.3484 -1.3484 3.0502 3.0502 4.3746 4.3746 5.8383 5.8383 6.0497 6.0497 7.1078 7.1078 8.8422 8.8422 9.4160 9.4160 9.6442 9.6442 11.1524 11.1524 k = 0.0000 0.6932-0.0000 ( 3654 PWs) bands (ev): -27.5781 -27.5781 -27.5508 -27.5508 -10.4635 -10.4635 -10.3876 -10.3876 -9.4063 -9.4063 -9.3253 -9.3253 -9.2259 -9.2259 -9.1267 -9.1267 -1.3484 -1.3484 3.0502 3.0502 4.3746 4.3746 5.8383 5.8383 6.0497 6.0497 7.1078 7.1078 8.8422 8.8422 9.4160 9.4160 9.6442 9.6442 11.1524 11.1524 k = 0.0000 0.6932 0.0195 ( 3650 PWs) bands (ev): -27.5781 -27.5781 -27.5508 -27.5508 -10.4635 -10.4635 -10.3876 -10.3876 -9.4064 -9.4064 -9.3252 -9.3252 -9.2261 -9.2261 -9.1269 -9.1269 -1.3473 -1.3473 3.0487 3.0487 4.3756 4.3756 5.8315 5.8315 6.0511 6.0511 7.1071 7.1071 8.8538 8.8538 9.4160 9.4160 9.6366 9.6366 11.1522 11.1522 k = 0.0000 0.6932 0.0390 ( 3646 PWs) bands (ev): -27.5780 -27.5780 -27.5508 -27.5508 -10.4635 -10.4635 -10.3878 -10.3878 -9.4066 -9.4066 -9.3251 -9.3251 -9.2267 -9.2267 -9.1275 -9.1275 -1.3439 -1.3439 3.0443 3.0443 4.3787 4.3787 5.8115 5.8115 6.0552 6.0552 7.1052 7.1052 8.8881 8.8881 9.4160 9.4160 9.6143 9.6143 11.1514 11.1514 k = 0.0000 0.6932 0.0585 ( 3640 PWs) bands (ev): -27.5779 -27.5779 -27.5507 -27.5507 -10.4636 -10.4636 -10.3882 -10.3882 -9.4068 -9.4068 -9.3248 -9.3248 -9.2278 -9.2278 -9.1284 -9.1284 -1.3382 -1.3382 3.0367 3.0367 4.3837 4.3837 5.7796 5.7796 6.0619 6.0619 7.1020 7.1020 8.9439 8.9439 9.4161 9.4161 9.5784 9.5784 11.1498 11.1498 k = 0.0000 0.6932 0.0780 ( 3640 PWs) bands (ev): -27.5777 -27.5777 -27.5507 -27.5507 -10.4636 -10.4636 -10.3887 -10.3887 -9.4072 -9.4072 -9.3245 -9.3245 -9.2292 -9.2292 -9.1297 -9.1297 -1.3302 -1.3302 3.0258 3.0258 4.3908 4.3908 5.7376 5.7376 6.0711 6.0711 7.0975 7.0975 9.0192 9.0192 9.4164 9.4164 9.5308 9.5308 11.1460 11.1461 k = 0.0000 0.6932 0.0975 ( 3638 PWs) bands (ev): -27.5774 -27.5774 -27.5506 -27.5506 -10.4638 -10.4638 -10.3893 -10.3893 -9.4076 -9.4076 -9.3241 -9.3241 -9.2311 -9.2311 -9.1313 -9.1313 -1.3200 -1.3200 3.0112 3.0112 4.3999 4.3999 5.6878 5.6878 6.0827 6.0827 7.0919 7.0919 9.1111 9.1111 9.4171 9.4171 9.4735 9.4735 11.1314 11.1314 k = 0.0000 0.6932 0.1170 ( 3640 PWs) bands (ev): -27.5771 -27.5771 -27.5506 -27.5506 -10.4639 -10.4639 -10.3901 -10.3901 -9.4081 -9.4081 -9.3236 -9.3236 -9.2333 -9.2333 -9.1332 -9.1332 -1.3074 -1.3074 2.9928 2.9928 4.4110 4.4110 5.6326 5.6326 6.0965 6.0965 7.0851 7.0851 9.2152 9.2152 9.4054 9.4054 9.4233 9.4233 11.1004 11.1004 k = 0.0000 0.6932 0.1365 ( 3640 PWs) bands (ev): -27.5767 -27.5767 -27.5505 -27.5505 -10.4641 -10.4641 -10.3910 -10.3910 -9.4088 -9.4088 -9.3230 -9.3230 -9.2359 -9.2359 -9.1355 -9.1355 -1.2926 -1.2926 2.9701 2.9701 4.4240 4.4240 5.5744 5.5744 6.1121 6.1121 7.0772 7.0772 9.3168 9.3168 9.3372 9.3372 9.4385 9.4385 11.0651 11.0651 k = 0.0000 0.6932 0.1560 ( 3638 PWs) bands (ev): -27.5763 -27.5763 -27.5504 -27.5504 -10.4642 -10.4642 -10.3920 -10.3920 -9.4095 -9.4095 -9.3223 -9.3223 -9.2389 -9.2389 -9.1380 -9.1380 -1.2755 -1.2755 2.9427 2.9427 4.4390 4.4390 5.5154 5.5154 6.1292 6.1292 7.0685 7.0685 9.2591 9.2591 9.3732 9.3732 9.5142 9.5142 11.0296 11.0296 k = 0.0000 0.6932 0.1755 ( 3636 PWs) bands (ev): -27.5759 -27.5759 -27.5503 -27.5503 -10.4645 -10.4645 -10.3932 -10.3932 -9.4103 -9.4103 -9.3215 -9.3215 -9.2422 -9.2422 -9.1408 -9.1408 -1.2562 -1.2562 2.9103 2.9103 4.4557 4.4557 5.4576 5.4576 6.1474 6.1474 7.0590 7.0590 9.1801 9.1801 9.3817 9.3817 9.6431 9.6431 10.9949 10.9949 k = 0.0000 0.6932 0.1950 ( 3638 PWs) bands (ev): -27.5754 -27.5754 -27.5502 -27.5502 -10.4647 -10.4647 -10.3946 -10.3946 -9.4111 -9.4111 -9.3207 -9.3207 -9.2457 -9.2457 -9.1438 -9.1438 -1.2345 -1.2345 2.8725 2.8725 4.4741 4.4741 5.4028 5.4028 6.1662 6.1662 7.0491 7.0491 9.0990 9.0990 9.3794 9.3794 9.7882 9.7882 10.9617 10.9617 k = 0.0000 0.6932 0.2145 ( 3644 PWs) bands (ev): -27.5748 -27.5748 -27.5501 -27.5501 -10.4650 -10.4650 -10.3960 -10.3960 -9.4120 -9.4120 -9.3198 -9.3198 -9.2496 -9.2496 -9.1470 -9.1470 -1.2106 -1.2106 2.8290 2.8290 4.4941 4.4941 5.3525 5.3525 6.1849 6.1849 7.0390 7.0390 9.0170 9.0170 9.3730 9.3730 9.9402 9.9402 10.9306 10.9306 k = 0.0000 0.6932 0.2340 ( 3642 PWs) bands (ev): -27.5742 -27.5742 -27.5500 -27.5500 -10.4653 -10.4653 -10.3976 -10.3976 -9.4130 -9.4130 -9.3188 -9.3188 -9.2537 -9.2537 -9.1504 -9.1504 -1.1844 -1.1844 2.7796 2.7796 4.5155 4.5155 5.3079 5.3079 6.2027 6.2027 7.0292 7.0292 8.9347 8.9347 9.3636 9.3636 10.0953 10.0953 10.9020 10.9020 k = 0.0000 0.6932 0.2535 ( 3644 PWs) bands (ev): -27.5736 -27.5736 -27.5499 -27.5499 -10.4656 -10.4656 -10.3994 -10.3994 -9.4140 -9.4140 -9.3179 -9.3179 -9.2579 -9.2579 -9.1540 -9.1540 -1.1559 -1.1559 2.7243 2.7243 4.5381 4.5381 5.2702 5.2702 6.2190 6.2190 7.0202 7.0202 8.8528 8.8528 9.3517 9.3517 10.2504 10.2504 10.8765 10.8765 k = 0.0000 0.6932 0.2730 ( 3642 PWs) bands (ev): -27.5729 -27.5729 -27.5498 -27.5498 -10.4659 -10.4659 -10.4012 -10.4012 -9.4150 -9.4150 -9.3170 -9.3170 -9.2623 -9.2623 -9.1577 -9.1577 -1.1251 -1.1251 2.6632 2.6632 4.5617 4.5617 5.2399 5.2399 6.2327 6.2327 7.0124 7.0124 8.7721 8.7721 9.3373 9.3373 10.4017 10.4017 10.8544 10.8544 k = 0.0000 0.6932 0.2925 ( 3648 PWs) bands (ev): -27.5722 -27.5722 -27.5497 -27.5497 -10.4662 -10.4662 -10.4032 -10.4032 -9.4160 -9.4160 -9.3161 -9.3161 -9.2668 -9.2668 -9.1614 -9.1614 -1.0920 -1.0920 2.5963 2.5963 4.5859 4.5859 5.2178 5.2178 6.2430 6.2430 7.0065 7.0065 8.6929 8.6929 9.3203 9.3203 10.5449 10.5449 10.8361 10.8361 k = 0.0000 0.6932 0.3120 ( 3646 PWs) bands (ev): -27.5715 -27.5715 -27.5496 -27.5496 -10.4666 -10.4666 -10.4053 -10.4053 -9.4170 -9.4170 -9.3154 -9.3154 -9.2712 -9.2712 -9.1653 -9.1653 -1.0567 -1.0567 2.5240 2.5240 4.6106 4.6106 5.2041 5.2041 6.2489 6.2489 7.0030 7.0030 8.6157 8.6157 9.3008 9.3008 10.6751 10.6751 10.8221 10.8221 k = 0.0000 0.6932 0.3315 ( 3648 PWs) bands (ev): -27.5707 -27.5707 -27.5495 -27.5495 -10.4670 -10.4670 -10.4075 -10.4075 -9.4180 -9.4180 -9.3149 -9.3149 -9.2754 -9.2754 -9.1692 -9.1692 -1.0191 -1.0191 2.4467 2.4467 4.6355 4.6355 5.1990 5.1990 6.2497 6.2497 7.0022 7.0022 8.5412 8.5412 9.2788 9.2788 10.7875 10.7875 10.8128 10.8128 k = 0.0000 0.6932 0.3510 ( 3650 PWs) bands (ev): -27.5699 -27.5699 -27.5495 -27.5495 -10.4673 -10.4673 -10.4099 -10.4099 -9.4189 -9.4189 -9.3149 -9.3149 -9.2792 -9.2792 -9.1731 -9.1731 -0.9792 -0.9792 2.3649 2.3649 4.6604 4.6604 5.2023 5.2023 6.2447 6.2447 7.0040 7.0040 8.4697 8.4697 9.2542 9.2542 10.8073 10.8073 10.8812 10.8812 k = 0.0000 0.6932 0.3705 ( 3648 PWs) bands (ev): -27.5691 -27.5691 -27.5494 -27.5494 -10.4677 -10.4677 -10.4123 -10.4123 -9.4198 -9.4198 -9.3156 -9.3156 -9.2823 -9.2823 -9.1771 -9.1771 -0.9370 -0.9370 2.2791 2.2791 4.6853 4.6853 5.2138 5.2138 6.2337 6.2337 7.0083 7.0083 8.4019 8.4019 9.2273 9.2273 10.8072 10.8072 10.9560 10.9560 k = 0.0000 0.6932 0.3900 ( 3652 PWs) bands (ev): -27.5683 -27.5683 -27.5494 -27.5494 -10.4681 -10.4681 -10.4148 -10.4148 -9.4206 -9.4206 -9.3171 -9.3171 -9.2847 -9.2847 -9.1811 -9.1811 -0.8926 -0.8926 2.1898 2.1898 4.7103 4.7103 5.2330 5.2330 6.2167 6.2167 7.0142 7.0142 8.3384 8.3384 9.1981 9.1981 10.8121 10.8121 11.0163 11.0163 k = 0.0000 0.6932 0.4095 ( 3648 PWs) bands (ev): -27.5675 -27.5675 -27.5493 -27.5493 -10.4684 -10.4684 -10.4174 -10.4174 -9.4213 -9.4213 -9.3196 -9.3196 -9.2860 -9.2860 -9.1850 -9.1850 -0.8458 -0.8458 2.0976 2.0976 4.7355 4.7355 5.2594 5.2594 6.1939 6.1939 7.0208 7.0208 8.2799 8.2799 9.1669 9.1669 10.8219 10.8219 11.0662 11.0662 k = 0.0000 0.6932 0.4290 ( 3652 PWs) bands (ev): -27.5666 -27.5666 -27.5493 -27.5493 -10.4687 -10.4687 -10.4200 -10.4200 -9.4218 -9.4218 -9.3230 -9.3230 -9.2864 -9.2864 -9.1889 -9.1889 -0.7969 -0.7969 2.0030 2.0030 4.7610 4.7610 5.2922 5.2922 6.1660 6.1660 7.0265 7.0265 8.2274 8.2274 9.1337 9.1337 10.8368 10.8368 11.1088 11.1088 k = 0.0000 0.6932 0.4485 ( 3656 PWs) bands (ev): -27.5658 -27.5658 -27.5493 -27.5493 -10.4690 -10.4690 -10.4227 -10.4227 -9.4223 -9.4223 -9.3271 -9.3271 -9.2860 -9.2860 -9.1928 -9.1928 -0.7456 -0.7456 1.9065 1.9065 4.7872 4.7872 5.3307 5.3307 6.1334 6.1334 7.0298 7.0298 8.1818 8.1818 9.0987 9.0987 10.8566 10.8566 11.1465 11.1465 k = 0.0000 0.6932 0.4680 ( 3656 PWs) bands (ev): -27.5649 -27.5649 -27.5494 -27.5494 -10.4693 -10.4693 -10.4255 -10.4255 -9.4225 -9.4225 -9.3317 -9.3317 -9.2850 -9.2850 -9.1967 -9.1967 -0.6921 -0.6921 1.8085 1.8085 4.8142 4.8142 5.3744 5.3744 6.0967 6.0967 7.0291 7.0291 8.1440 8.1440 9.0621 9.0621 10.8812 10.8812 11.1803 11.1803 k = 0.0000 0.6932 0.4875 ( 3656 PWs) bands (ev): -27.5640 -27.5640 -27.5494 -27.5494 -10.4694 -10.4694 -10.4282 -10.4282 -9.4226 -9.4226 -9.3366 -9.3366 -9.2835 -9.2835 -9.2005 -9.2005 -0.6364 -0.6364 1.7095 1.7095 4.8423 4.8423 5.4224 5.4224 6.0567 6.0567 7.0228 7.0228 8.1149 8.1149 9.0241 9.0241 10.9104 10.9104 11.2112 11.2112 k = 0.0000 0.6932 0.5070 ( 3652 PWs) bands (ev): -27.5632 -27.5632 -27.5495 -27.5495 -10.4696 -10.4696 -10.4310 -10.4310 -9.4225 -9.4225 -9.3417 -9.3417 -9.2818 -9.2818 -9.2042 -9.2042 -0.5784 -0.5784 1.6099 1.6099 4.8715 4.8715 5.4743 5.4743 6.0139 6.0139 7.0098 7.0098 8.0951 8.0951 8.9850 8.9850 10.9440 10.9440 11.2397 11.2397 k = 0.0000 0.6932 0.5265 ( 3650 PWs) bands (ev): -27.5623 -27.5623 -27.5496 -27.5496 -10.4696 -10.4696 -10.4337 -10.4337 -9.4223 -9.4223 -9.3468 -9.3468 -9.2798 -9.2798 -9.2079 -9.2079 -0.5181 -0.5181 1.5100 1.5100 4.9021 4.9021 5.5295 5.5295 5.9688 5.9688 6.9893 6.9893 8.0849 8.0849 8.9447 8.9447 10.9817 10.9817 11.2661 11.2661 k = 0.0000 0.6932 0.5460 ( 3654 PWs) bands (ev): -27.5615 -27.5615 -27.5498 -27.5498 -10.4696 -10.4696 -10.4365 -10.4365 -9.4218 -9.4218 -9.3520 -9.3520 -9.2777 -9.2777 -9.2115 -9.2115 -0.4557 -0.4557 1.4101 1.4101 4.9340 4.9340 5.5876 5.5876 5.9220 5.9220 6.9611 6.9611 8.0838 8.0838 8.9035 8.9035 11.0230 11.0230 11.2908 11.2908 k = 0.0000 0.6932 0.5655 ( 3658 PWs) bands (ev): -27.5607 -27.5607 -27.5499 -27.5499 -10.4695 -10.4695 -10.4392 -10.4392 -9.4211 -9.4211 -9.3572 -9.3572 -9.2754 -9.2754 -9.2151 -9.2151 -0.3910 -0.3910 1.3104 1.3104 4.9674 4.9674 5.6481 5.6481 5.8738 5.8738 6.9254 6.9254 8.0914 8.0914 8.8616 8.8616 11.0674 11.0674 11.3141 11.3141 k = 0.0000 0.6932 0.5850 ( 3660 PWs) bands (ev): -27.5599 -27.5599 -27.5501 -27.5501 -10.4693 -10.4693 -10.4418 -10.4418 -9.4201 -9.4201 -9.3623 -9.3623 -9.2730 -9.2730 -9.2186 -9.2186 -0.3242 -0.3242 1.2114 1.2114 5.0023 5.0023 5.7104 5.7104 5.8251 5.8251 6.8830 6.8830 8.1065 8.1065 8.8191 8.8191 11.1145 11.1145 11.3364 11.3364 k = 0.0000 0.6932 0.6045 ( 3666 PWs) bands (ev): -27.5591 -27.5591 -27.5504 -27.5504 -10.4689 -10.4689 -10.4444 -10.4444 -9.4190 -9.4190 -9.3672 -9.3672 -9.2705 -9.2705 -9.2221 -9.2221 -0.2552 -0.2552 1.1130 1.1130 5.0386 5.0386 5.7633 5.7633 5.7868 5.7868 6.8347 6.8347 8.1282 8.1282 8.7760 8.7760 11.1636 11.1636 11.3580 11.3580 k = 0.0000 0.6932 0.6240 ( 3668 PWs) bands (ev): -27.5583 -27.5583 -27.5507 -27.5507 -10.4684 -10.4684 -10.4469 -10.4469 -9.4175 -9.4175 -9.3721 -9.3721 -9.2679 -9.2679 -9.2255 -9.2255 -0.1840 -0.1840 1.0156 1.0156 5.0763 5.0763 5.7224 5.7224 5.8436 5.8436 6.7813 6.7813 8.1552 8.1552 8.7324 8.7324 11.2139 11.2139 11.3792 11.3792 k = 0.0000 0.6932 0.6435 ( 3676 PWs) bands (ev): -27.5575 -27.5575 -27.5510 -27.5510 -10.4679 -10.4679 -10.4493 -10.4493 -9.4159 -9.4159 -9.3767 -9.3767 -9.2652 -9.2652 -9.2289 -9.2289 -0.1107 -0.1107 0.9193 0.9193 5.1155 5.1155 5.6724 5.6724 5.9105 5.9105 6.7237 6.7237 8.1865 8.1865 8.6886 8.6886 11.2644 11.2644 11.4000 11.4000 k = 0.0000 0.6932 0.6630 ( 3670 PWs) bands (ev): -27.5568 -27.5568 -27.5513 -27.5513 -10.4671 -10.4671 -10.4516 -10.4516 -9.4139 -9.4139 -9.3812 -9.3812 -9.2625 -9.2625 -9.2322 -9.2322 -0.0354 -0.0354 0.8243 0.8243 5.1561 5.1561 5.6221 5.6221 5.9788 5.9788 6.6627 6.6627 8.2213 8.2213 8.6445 8.6445 11.3140 11.3140 11.4205 11.4205 k = 0.0000 0.6932 0.6825 ( 3662 PWs) bands (ev): -27.5561 -27.5561 -27.5517 -27.5517 -10.4662 -10.4662 -10.4538 -10.4538 -9.4118 -9.4118 -9.3855 -9.3855 -9.2597 -9.2597 -9.2354 -9.2354 0.0421 0.0421 0.7306 0.7306 5.1979 5.1979 5.5721 5.5721 6.0480 6.0480 6.5991 6.5991 8.2587 8.2587 8.6003 8.6003 11.3612 11.3612 11.4402 11.4402 k = 0.0000 0.6932 0.7020 ( 3658 PWs) bands (ev): -27.5554 -27.5554 -27.5521 -27.5521 -10.4652 -10.4652 -10.4559 -10.4559 -9.4093 -9.4093 -9.3896 -9.3896 -9.2568 -9.2568 -9.2386 -9.2386 0.1216 0.1216 0.6384 0.6384 5.2411 5.2411 5.5224 5.5224 6.1178 6.1178 6.5333 6.5333 8.2982 8.2982 8.5561 8.5561 11.4043 11.4043 11.4585 11.4585 k = 0.0000 0.6932 0.7215 ( 3654 PWs) bands (ev): -27.5548 -27.5548 -27.5526 -27.5526 -10.4640 -10.4640 -10.4578 -10.4578 -9.4067 -9.4067 -9.3935 -9.3935 -9.2539 -9.2539 -9.2418 -9.2418 0.2031 0.2031 0.5478 0.5478 5.2855 5.2855 5.4733 5.4733 6.1879 6.1879 6.4659 6.4659 8.3392 8.3392 8.5119 8.5119 11.4408 11.4408 11.4737 11.4737 k = 0.0000 0.6932 0.7410 ( 3652 PWs) bands (ev): -27.5542 -27.5542 -27.5531 -27.5531 -10.4627 -10.4627 -10.4596 -10.4596 -9.4037 -9.4037 -9.3971 -9.3971 -9.2510 -9.2510 -9.2449 -9.2449 0.2865 0.2865 0.4589 0.4589 5.3309 5.3309 5.4250 5.4250 6.2580 6.2580 6.3973 6.3973 8.3814 8.3814 8.4680 8.4680 11.4676 11.4676 11.4828 11.4828 k = 0.0000 0.6932 0.7605 ( 3648 PWs) bands (ev): -27.5536 -27.5536 -27.5536 -27.5536 -10.4612 -10.4612 -10.4612 -10.4612 -9.4006 -9.4006 -9.4006 -9.4006 -9.2479 -9.2479 -9.2479 -9.2479 0.3718 0.3718 0.3718 0.3718 5.3775 5.3775 5.3775 5.3775 6.3279 6.3279 6.3279 6.3279 8.4244 8.4244 8.4244 8.4244 11.4817 11.4817 11.4817 11.4817 k = 0.0000 0.6932 0.7605 ( 3648 PWs) bands (ev): -27.5536 -27.5536 -27.5536 -27.5536 -10.4612 -10.4612 -10.4612 -10.4612 -9.4006 -9.4006 -9.4006 -9.4006 -9.2479 -9.2479 -9.2479 -9.2479 0.3718 0.3718 0.3718 0.3718 5.3775 5.3775 5.3775 5.3775 6.3279 6.3279 6.3279 6.3279 8.4244 8.4244 8.4244 8.4244 11.4817 11.4817 11.4817 11.4817 k = 0.0185 0.6932 0.7605 ( 3652 PWs) bands (ev): -27.5536 -27.5536 -27.5536 -27.5536 -10.4615 -10.4615 -10.4610 -10.4610 -9.4045 -9.4045 -9.3966 -9.3966 -9.2518 -9.2518 -9.2442 -9.2442 0.3714 0.3714 0.3726 0.3726 5.3755 5.3755 5.3769 5.3769 6.3277 6.3277 6.3295 6.3295 8.4251 8.4251 8.4271 8.4271 11.4821 11.4821 11.4834 11.4834 k = 0.0369 0.6932 0.7605 ( 3662 PWs) bands (ev): -27.5536 -27.5536 -27.5536 -27.5536 -10.4617 -10.4617 -10.4608 -10.4608 -9.4083 -9.4083 -9.3925 -9.3925 -9.2556 -9.2556 -9.2404 -9.2404 0.3713 0.3713 0.3736 0.3736 5.3710 5.3710 5.3739 5.3739 6.3287 6.3287 6.3324 6.3324 8.4292 8.4292 8.4330 8.4330 11.4843 11.4843 11.4871 11.4871 k = 0.0554 0.6932 0.7605 ( 3660 PWs) bands (ev): -27.5536 -27.5536 -27.5536 -27.5536 -10.4620 -10.4620 -10.4606 -10.4606 -9.4119 -9.4119 -9.3885 -9.3885 -9.2594 -9.2594 -9.2368 -9.2368 0.3716 0.3716 0.3750 0.3750 5.3642 5.3642 5.3685 5.3685 6.3310 6.3310 6.3364 6.3364 8.4366 8.4366 8.4422 8.4422 11.4881 11.4881 11.4926 11.4926 k = 0.0738 0.6932 0.7605 ( 3666 PWs) bands (ev): -27.5536 -27.5536 -27.5536 -27.5536 -10.4623 -10.4623 -10.4605 -10.4605 -9.4155 -9.4155 -9.3844 -9.3844 -9.2632 -9.2632 -9.2333 -9.2333 0.3721 0.3721 0.3767 0.3767 5.3552 5.3552 5.3608 5.3608 6.3344 6.3344 6.3416 6.3416 8.4470 8.4470 8.4543 8.4543 11.4919 11.4919 11.4991 11.4991 k = 0.0923 0.6932 0.7605 ( 3662 PWs) bands (ev): -27.5536 -27.5536 -27.5536 -27.5536 -10.4627 -10.4627 -10.4604 -10.4604 -9.4188 -9.4188 -9.3805 -9.3805 -9.2669 -9.2669 -9.2299 -9.2299 0.3730 0.3730 0.3787 0.3787 5.3444 5.3444 5.3512 5.3512 6.3388 6.3388 6.3476 6.3476 8.4602 8.4602 8.4691 8.4691 11.4819 11.4819 11.4935 11.4935 k = 0.1108 0.6932 0.7605 ( 3664 PWs) bands (ev): -27.5537 -27.5537 -27.5537 -27.5537 -10.4630 -10.4630 -10.4603 -10.4603 -9.4219 -9.4219 -9.3766 -9.3766 -9.2704 -9.2704 -9.2267 -9.2267 0.3742 0.3742 0.3809 0.3809 5.3319 5.3319 5.3399 5.3399 6.3441 6.3441 6.3544 6.3544 8.4757 8.4757 8.4862 8.4862 11.4304 11.4304 11.4391 11.4391 k = 0.1292 0.6932 0.7605 ( 3662 PWs) bands (ev): -27.5537 -27.5537 -27.5537 -27.5537 -10.4633 -10.4633 -10.4602 -10.4602 -9.4248 -9.4248 -9.3729 -9.3729 -9.2737 -9.2737 -9.2236 -9.2236 0.3756 0.3756 0.3833 0.3833 5.3182 5.3182 5.3273 5.3273 6.3500 6.3500 6.3618 6.3618 8.4933 8.4933 8.5051 8.5051 11.3644 11.3644 11.3722 11.3722 k = 0.1477 0.6932 0.7605 ( 3662 PWs) bands (ev): -27.5537 -27.5537 -27.5537 -27.5537 -10.4636 -10.4636 -10.4602 -10.4602 -9.4275 -9.4275 -9.3695 -9.3695 -9.2768 -9.2768 -9.2207 -9.2207 0.3772 0.3772 0.3858 0.3858 5.3035 5.3035 5.3137 5.3137 6.3565 6.3565 6.3696 6.3696 8.5124 8.5124 8.5253 8.5253 11.2948 11.2948 11.3023 11.3023 k = 0.1662 0.6932 0.7605 ( 3660 PWs) bands (ev): -27.5537 -27.5537 -27.5537 -27.5537 -10.4639 -10.4639 -10.4602 -10.4602 -9.4300 -9.4300 -9.3663 -9.3663 -9.2796 -9.2796 -9.2180 -9.2180 0.3790 0.3790 0.3885 0.3885 5.2883 5.2883 5.2994 5.2994 6.3634 6.3634 6.3776 6.3776 8.5323 8.5323 8.5462 8.5462 11.2246 11.2246 11.2319 11.2319 k = 0.1846 0.6932 0.7605 ( 3660 PWs) bands (ev): -27.5537 -27.5537 -27.5537 -27.5537 -10.4642 -10.4642 -10.4603 -10.4603 -9.4322 -9.4322 -9.3636 -9.3636 -9.2820 -9.2820 -9.2156 -9.2156 0.3809 0.3809 0.3912 0.3912 5.2729 5.2729 5.2847 5.2847 6.3704 6.3704 6.3858 6.3858 8.5525 8.5525 8.5672 8.5672 11.1559 11.1559 11.1630 11.1630 k = 0.2031 0.6932 0.7605 ( 3660 PWs) bands (ev): -27.5537 -27.5537 -27.5537 -27.5537 -10.4644 -10.4644 -10.4603 -10.4603 -9.4341 -9.4341 -9.3613 -9.3613 -9.2839 -9.2839 -9.2133 -9.2133 0.3829 0.3829 0.3939 0.3939 5.2576 5.2576 5.2701 5.2701 6.3776 6.3776 6.3938 6.3938 8.5722 8.5722 8.5876 8.5876 11.0902 11.0902 11.0970 11.0970 k = 0.2215 0.6932 0.7605 ( 3662 PWs) bands (ev): -27.5537 -27.5537 -27.5537 -27.5537 -10.4647 -10.4647 -10.4604 -10.4604 -9.4358 -9.4358 -9.3595 -9.3595 -9.2853 -9.2853 -9.2113 -9.2113 0.3850 0.3850 0.3966 0.3966 5.2428 5.2428 5.2557 5.2557 6.3847 6.3847 6.4017 6.4017 8.5909 8.5909 8.6067 8.6067 11.0287 11.0287 11.0352 11.0352 k = 0.2400 0.6932 0.7605 ( 3660 PWs) bands (ev): -27.5537 -27.5537 -27.5537 -27.5537 -10.4649 -10.4649 -10.4605 -10.4605 -9.4372 -9.4372 -9.3583 -9.3583 -9.2861 -9.2861 -9.2096 -9.2096 0.3870 0.3870 0.3992 0.3992 5.2287 5.2287 5.2420 5.2420 6.3917 6.3917 6.4094 6.4094 8.6076 8.6076 8.6237 8.6237 10.9728 10.9728 10.9788 10.9788 k = 0.2585 0.6932 0.7605 ( 3660 PWs) bands (ev): -27.5537 -27.5537 -27.5537 -27.5537 -10.4650 -10.4650 -10.4606 -10.4606 -9.4382 -9.4382 -9.3577 -9.3577 -9.2863 -9.2863 -9.2081 -9.2081 0.3890 0.3890 0.4016 0.4016 5.2157 5.2157 5.2291 5.2291 6.3984 6.3984 6.4166 6.4166 8.6219 8.6219 8.6379 8.6379 10.9231 10.9231 10.9287 10.9287 k = 0.2769 0.6932 0.7605 ( 3658 PWs) bands (ev): -27.5537 -27.5537 -27.5537 -27.5537 -10.4652 -10.4652 -10.4607 -10.4607 -9.4390 -9.4390 -9.3578 -9.3578 -9.2859 -9.2859 -9.2069 -9.2069 0.3908 0.3908 0.4038 0.4038 5.2039 5.2039 5.2173 5.2173 6.4048 6.4048 6.4235 6.4235 8.6330 8.6330 8.6488 8.6488 10.8806 10.8806 10.8857 10.8857 k = 0.2954 0.6932 0.7605 ( 3662 PWs) bands (ev): -27.5537 -27.5537 -27.5537 -27.5537 -10.4652 -10.4652 -10.4608 -10.4608 -9.4395 -9.4395 -9.3583 -9.3583 -9.2850 -9.2850 -9.2060 -9.2060 0.3925 0.3925 0.4057 0.4057 5.1935 5.1935 5.2069 5.2069 6.4109 6.4109 6.4298 6.4298 8.6404 8.6404 8.6558 8.6558 10.8457 10.8457 10.8503 10.8503 k = 0.2954 0.6932 0.7605 ( 3662 PWs) bands (ev): -27.5537 -27.5537 -27.5537 -27.5537 -10.4652 -10.4652 -10.4608 -10.4608 -9.4395 -9.4395 -9.3583 -9.3583 -9.2850 -9.2850 -9.2060 -9.2060 0.3925 0.3925 0.4057 0.4057 5.1935 5.1935 5.2069 5.2069 6.4109 6.4109 6.4298 6.4298 8.6404 8.6404 8.6558 8.6558 10.8457 10.8457 10.8503 10.8503 k = 0.2878 0.6755 0.7605 ( 3662 PWs) bands (ev): -27.5537 -27.5537 -27.5537 -27.5537 -10.4651 -10.4651 -10.4605 -10.4605 -9.4385 -9.4385 -9.3561 -9.3561 -9.2880 -9.2880 -9.2081 -9.2081 0.3883 0.3883 0.4009 0.4009 5.2191 5.2191 5.2330 5.2330 6.3956 6.3956 6.4138 6.4138 8.6265 8.6265 8.6433 8.6433 10.9235 10.9235 10.9298 10.9298 k = 0.2802 0.6577 0.7605 ( 3662 PWs) bands (ev): -27.5537 -27.5537 -27.5537 -27.5537 -10.4649 -10.4649 -10.4602 -10.4602 -9.4374 -9.4374 -9.3540 -9.3540 -9.2908 -9.2908 -9.2103 -9.2103 0.3841 0.3841 0.3960 0.3960 5.2449 5.2449 5.2595 5.2595 6.3808 6.3808 6.3981 6.3981 8.6137 8.6137 8.6320 8.6320 10.9866 10.9866 10.9953 10.9953 k = 0.2727 0.6399 0.7605 ( 3656 PWs) bands (ev): -27.5537 -27.5537 -27.5537 -27.5537 -10.4647 -10.4647 -10.4598 -10.4598 -9.4361 -9.4361 -9.3520 -9.3520 -9.2935 -9.2935 -9.2125 -9.2125 0.3799 0.3799 0.3911 0.3911 5.2706 5.2706 5.2859 5.2859 6.3667 6.3667 6.3830 6.3830 8.6016 8.6016 8.6214 8.6214 11.0242 11.0242 11.0361 11.0361 k = 0.2651 0.6221 0.7605 ( 3668 PWs) bands (ev): -27.5536 -27.5536 -27.5536 -27.5536 -10.4644 -10.4644 -10.4594 -10.4594 -9.4346 -9.4346 -9.3500 -9.3500 -9.2959 -9.2959 -9.2147 -9.2147 0.3757 0.3757 0.3862 0.3862 5.2961 5.2961 5.3122 5.3122 6.3534 6.3534 6.3686 6.3686 8.5898 8.5898 8.6112 8.6112 11.0264 11.0264 11.0406 11.0406 k = 0.2575 0.6044 0.7605 ( 3672 PWs) bands (ev): -27.5536 -27.5536 -27.5536 -27.5536 -10.4641 -10.4641 -10.4590 -10.4590 -9.4330 -9.4330 -9.3482 -9.3482 -9.2981 -9.2981 -9.2170 -9.2170 0.3717 0.3717 0.3814 0.3814 5.3211 5.3211 5.3380 5.3380 6.3411 6.3411 6.3551 6.3551 8.5780 8.5780 8.6010 8.6010 10.9948 10.9948 11.0096 11.0096 k = 0.2499 0.5866 0.7605 ( 3676 PWs) bands (ev): -27.5536 -27.5536 -27.5536 -27.5536 -10.4638 -10.4638 -10.4585 -10.4585 -9.4312 -9.4312 -9.3466 -9.3466 -9.3000 -9.3000 -9.2193 -9.2193 0.3678 0.3678 0.3767 0.3767 5.3453 5.3453 5.3632 5.3632 6.3300 6.3300 6.3426 6.3426 8.5656 8.5656 8.5903 8.5903 10.9426 10.9426 10.9565 10.9565 k = 0.2424 0.5688 0.7605 ( 3670 PWs) bands (ev): -27.5536 -27.5536 -27.5536 -27.5536 -10.4635 -10.4635 -10.4581 -10.4581 -9.4294 -9.4294 -9.3452 -9.3452 -9.3016 -9.3016 -9.2216 -9.2216 0.3640 0.3640 0.3720 0.3720 5.3687 5.3687 5.3876 5.3876 6.3202 6.3202 6.3312 6.3312 8.5524 8.5524 8.5787 8.5787 10.8819 10.8819 10.8943 10.8943 k = 0.2348 0.5510 0.7605 ( 3670 PWs) bands (ev): -27.5537 -27.5537 -27.5537 -27.5537 -10.4631 -10.4631 -10.4576 -10.4576 -9.4274 -9.4274 -9.3440 -9.3440 -9.3028 -9.3028 -9.2240 -9.2240 0.3603 0.3603 0.3675 0.3675 5.3909 5.3909 5.4107 5.4107 6.3118 6.3118 6.3213 6.3213 8.5380 8.5380 8.5659 8.5659 10.8199 10.8199 10.8308 10.8308 k = 0.2272 0.5333 0.7605 ( 3670 PWs) bands (ev): -27.5537 -27.5537 -27.5537 -27.5537 -10.4626 -10.4626 -10.4571 -10.4571 -9.4252 -9.4252 -9.3430 -9.3430 -9.3037 -9.3037 -9.2263 -9.2263 0.3568 0.3568 0.3632 0.3632 5.4117 5.4117 5.4326 5.4326 6.3050 6.3050 6.3129 6.3129 8.5221 8.5221 8.5515 8.5515 10.7607 10.7607 10.7701 10.7701 k = 0.2196 0.5155 0.7605 ( 3662 PWs) bands (ev): -27.5537 -27.5537 -27.5537 -27.5537 -10.4622 -10.4622 -10.4565 -10.4565 -9.4230 -9.4230 -9.3424 -9.3424 -9.3042 -9.3042 -9.2286 -9.2286 0.3535 0.3535 0.3590 0.3590 5.4310 5.4310 5.4528 5.4528 6.2999 6.2999 6.3061 6.3061 8.5044 8.5044 8.5353 8.5353 10.7062 10.7062 10.7144 10.7144 k = 0.2121 0.4977 0.7605 ( 3662 PWs) bands (ev): -27.5537 -27.5537 -27.5537 -27.5537 -10.4617 -10.4617 -10.4560 -10.4560 -9.4207 -9.4207 -9.3421 -9.3421 -9.3043 -9.3043 -9.2310 -9.2310 0.3503 0.3503 0.3551 0.3551 5.4486 5.4486 5.4714 5.4714 6.2965 6.2965 6.3011 6.3011 8.4848 8.4848 8.5169 8.5169 10.6577 10.6577 10.6649 10.6649 k = 0.2045 0.4799 0.7605 ( 3660 PWs) bands (ev): -27.5537 -27.5537 -27.5537 -27.5537 -10.4611 -10.4611 -10.4554 -10.4554 -9.4182 -9.4182 -9.3420 -9.3420 -9.3041 -9.3041 -9.2333 -9.2333 0.3474 0.3474 0.3513 0.3513 5.4645 5.4645 5.4880 5.4880 6.2948 6.2948 6.2979 6.2979 8.4631 8.4631 8.4963 8.4963 10.6159 10.6159 10.6224 10.6224 k = 0.1969 0.4622 0.7605 ( 3668 PWs) bands (ev): -27.5538 -27.5538 -27.5538 -27.5538 -10.4606 -10.4606 -10.4548 -10.4548 -9.4157 -9.4157 -9.3422 -9.3422 -9.3035 -9.3035 -9.2356 -9.2356 0.3446 0.3446 0.3477 0.3477 5.4784 5.4784 5.5026 5.5026 6.2949 6.2949 6.2965 6.2965 8.4395 8.4395 8.4734 8.4734 10.5810 10.5810 10.5870 10.5870 k = 0.1894 0.4444 0.7605 ( 3668 PWs) bands (ev): -27.5538 -27.5538 -27.5538 -27.5538 -10.4600 -10.4600 -10.4542 -10.4542 -9.4131 -9.4131 -9.3425 -9.3425 -9.3027 -9.3027 -9.2379 -9.2379 0.3420 0.3420 0.3444 0.3444 5.4905 5.4905 5.5152 5.5152 6.2967 6.2967 6.2970 6.2970 8.4139 8.4139 8.4483 8.4483 10.5531 10.5531 10.5590 10.5590 k = 0.1818 0.4266 0.7605 ( 3660 PWs) bands (ev): -27.5538 -27.5538 -27.5538 -27.5538 -10.4593 -10.4593 -10.4536 -10.4536 -9.4104 -9.4104 -9.3431 -9.3431 -9.3016 -9.3016 -9.2402 -9.2402 0.3396 0.3396 0.3412 0.3412 5.5008 5.5008 5.5257 5.5257 6.2993 6.2993 6.3001 6.3001 8.3865 8.3865 8.4212 8.4212 10.5320 10.5320 10.5381 10.5381 k = 0.1742 0.4088 0.7605 ( 3660 PWs) bands (ev): -27.5539 -27.5539 -27.5539 -27.5539 -10.4587 -10.4587 -10.4530 -10.4530 -9.4077 -9.4077 -9.3437 -9.3437 -9.3004 -9.3004 -9.2424 -9.2424 0.3373 0.3373 0.3383 0.3383 5.5093 5.5093 5.5343 5.5343 6.3032 6.3032 6.3049 6.3049 8.3575 8.3575 8.3922 8.3922 10.5173 10.5173 10.5240 10.5240 k = 0.1666 0.3911 0.7605 ( 3660 PWs) bands (ev): -27.5539 -27.5539 -27.5539 -27.5539 -10.4580 -10.4580 -10.4524 -10.4524 -9.4049 -9.4049 -9.3445 -9.3445 -9.2990 -9.2990 -9.2446 -9.2446 0.3353 0.3353 0.3356 0.3356 5.5162 5.5162 5.5410 5.5410 6.3085 6.3085 6.3110 6.3110 8.3274 8.3274 8.3617 8.3617 10.5088 10.5088 10.5161 10.5161 k = 0.1591 0.3733 0.7605 ( 3658 PWs) bands (ev): -27.5540 -27.5540 -27.5540 -27.5540 -10.4573 -10.4573 -10.4518 -10.4518 -9.4021 -9.4021 -9.3452 -9.3452 -9.2976 -9.2976 -9.2468 -9.2468 0.3331 0.3331 0.3334 0.3334 5.5216 5.5216 5.5460 5.5460 6.3151 6.3151 6.3182 6.3182 8.2963 8.2963 8.3301 8.3301 10.5057 10.5057 10.5140 10.5140 k = 0.1515 0.3555 0.7605 ( 3654 PWs) bands (ev): -27.5540 -27.5540 -27.5540 -27.5540 -10.4566 -10.4566 -10.4512 -10.4512 -9.3993 -9.3993 -9.3460 -9.3460 -9.2961 -9.2961 -9.2489 -9.2489 0.3308 0.3308 0.3317 0.3317 5.5257 5.5257 5.5495 5.5495 6.3227 6.3227 6.3261 6.3261 8.2647 8.2647 8.2977 8.2977 10.5074 10.5074 10.5170 10.5170 k = 0.1439 0.3377 0.7605 ( 3650 PWs) bands (ev): -27.5541 -27.5541 -27.5541 -27.5541 -10.4559 -10.4559 -10.4507 -10.4507 -9.3964 -9.3964 -9.3468 -9.3468 -9.2946 -9.2946 -9.2509 -9.2509 0.3287 0.3287 0.3301 0.3301 5.5287 5.5287 5.5517 5.5517 6.3311 6.3311 6.3347 6.3347 8.2329 8.2329 8.2649 8.2649 10.5134 10.5134 10.5243 10.5243 k = 0.1363 0.3200 0.7605 ( 3654 PWs) bands (ev): -27.5541 -27.5541 -27.5541 -27.5541 -10.4552 -10.4552 -10.4501 -10.4501 -9.3936 -9.3936 -9.3475 -9.3475 -9.2931 -9.2931 -9.2529 -9.2529 0.3268 0.3268 0.3286 0.3286 5.5308 5.5308 5.5527 5.5527 6.3399 6.3399 6.3436 6.3436 8.2013 8.2013 8.2322 8.2322 10.5229 10.5229 10.5352 10.5352 k = 0.1288 0.3022 0.7605 ( 3670 PWs) bands (ev): -27.5542 -27.5542 -27.5542 -27.5542 -10.4545 -10.4545 -10.4495 -10.4495 -9.3908 -9.3908 -9.3482 -9.3482 -9.2916 -9.2916 -9.2548 -9.2548 0.3251 0.3251 0.3273 0.3273 5.5320 5.5320 5.5529 5.5529 6.3491 6.3491 6.3527 6.3527 8.1703 8.1703 8.1997 8.1997 10.5351 10.5351 10.5488 10.5488 k = 0.1212 0.2844 0.7605 ( 3666 PWs) bands (ev): -27.5543 -27.5543 -27.5543 -27.5543 -10.4538 -10.4538 -10.4490 -10.4490 -9.3881 -9.3881 -9.3489 -9.3489 -9.2901 -9.2901 -9.2567 -9.2567 0.3236 0.3236 0.3261 0.3261 5.5327 5.5327 5.5524 5.5524 6.3583 6.3583 6.3617 6.3617 8.1400 8.1400 8.1680 8.1680 10.5493 10.5493 10.5644 10.5644 k = 0.1136 0.2666 0.7605 ( 3666 PWs) bands (ev): -27.5543 -27.5543 -27.5543 -27.5543 -10.4531 -10.4531 -10.4485 -10.4485 -9.3854 -9.3854 -9.3496 -9.3496 -9.2887 -9.2887 -9.2584 -9.2584 0.3222 0.3222 0.3250 0.3250 5.5329 5.5329 5.5513 5.5513 6.3673 6.3673 6.3705 6.3705 8.1109 8.1109 8.1374 8.1374 10.5649 10.5649 10.5813 10.5813 k = 0.1060 0.2489 0.7605 ( 3662 PWs) bands (ev): -27.5544 -27.5544 -27.5544 -27.5544 -10.4524 -10.4524 -10.4480 -10.4480 -9.3827 -9.3827 -9.3502 -9.3502 -9.2873 -9.2873 -9.2601 -9.2601 0.3210 0.3210 0.3240 0.3240 5.5329 5.5329 5.5499 5.5499 6.3760 6.3760 6.3789 6.3789 8.0831 8.0831 8.1079 8.1079 10.5811 10.5811 10.5986 10.5986 k = 0.0985 0.2311 0.7605 ( 3658 PWs) bands (ev): -27.5544 -27.5544 -27.5544 -27.5544 -10.4517 -10.4517 -10.4476 -10.4476 -9.3802 -9.3802 -9.3507 -9.3507 -9.2860 -9.2860 -9.2617 -9.2617 0.3199 0.3199 0.3230 0.3230 5.5326 5.5326 5.5483 5.5483 6.3842 6.3842 6.3868 6.3868 8.0568 8.0568 8.0800 8.0800 10.5973 10.5973 10.6157 10.6157 k = 0.0909 0.2133 0.7605 ( 3662 PWs) bands (ev): -27.5545 -27.5545 -27.5545 -27.5545 -10.4511 -10.4511 -10.4472 -10.4472 -9.3777 -9.3777 -9.3513 -9.3513 -9.2848 -9.2848 -9.2632 -9.2632 0.3190 0.3190 0.3221 0.3221 5.5322 5.5322 5.5465 5.5465 6.3919 6.3919 6.3941 6.3941 8.0323 8.0323 8.0537 8.0537 10.6130 10.6130 10.6320 10.6320 k = 0.0833 0.1955 0.7605 ( 3662 PWs) bands (ev): -27.5545 -27.5545 -27.5545 -27.5545 -10.4504 -10.4504 -10.4468 -10.4468 -9.3753 -9.3753 -9.3518 -9.3518 -9.2836 -9.2836 -9.2646 -9.2646 0.3182 0.3182 0.3213 0.3213 5.5319 5.5319 5.5448 5.5448 6.3988 6.3988 6.4008 6.4008 8.0096 8.0096 8.0292 8.0292 10.6277 10.6277 10.6469 10.6469 k = 0.0757 0.1778 0.7605 ( 3662 PWs) bands (ev): -27.5546 -27.5546 -27.5546 -27.5546 -10.4498 -10.4498 -10.4465 -10.4465 -9.3731 -9.3731 -9.3523 -9.3523 -9.2826 -9.2826 -9.2659 -9.2659 0.3175 0.3175 0.3206 0.3206 5.5315 5.5315 5.5431 5.5431 6.4051 6.4051 6.4067 6.4067 7.9888 7.9888 8.0067 8.0067 10.6410 10.6410 10.6601 10.6601 k = 0.0682 0.1600 0.7605 ( 3670 PWs) bands (ev): -27.5546 -27.5546 -27.5546 -27.5546 -10.4492 -10.4492 -10.4462 -10.4462 -9.3710 -9.3710 -9.3527 -9.3527 -9.2816 -9.2816 -9.2672 -9.2672 0.3169 0.3169 0.3199 0.3199 5.5312 5.5312 5.5414 5.5414 6.4107 6.4107 6.4120 6.4120 7.9701 7.9701 7.9861 7.9861 10.6528 10.6528 10.6713 10.6713 k = 0.0606 0.1422 0.7605 ( 3678 PWs) bands (ev): -27.5546 -27.5546 -27.5546 -27.5546 -10.4487 -10.4487 -10.4459 -10.4459 -9.3690 -9.3690 -9.3532 -9.3532 -9.2806 -9.2806 -9.2683 -9.2683 0.3165 0.3165 0.3193 0.3193 5.5310 5.5310 5.5399 5.5399 6.4155 6.4155 6.4165 6.4165 7.9534 7.9534 7.9676 7.9676 10.6628 10.6628 10.6804 10.6804 k = 0.0530 0.1244 0.7605 ( 3686 PWs) bands (ev): -27.5547 -27.5547 -27.5547 -27.5547 -10.4481 -10.4481 -10.4457 -10.4457 -9.3671 -9.3671 -9.3536 -9.3536 -9.2797 -9.2797 -9.2694 -9.2694 0.3161 0.3161 0.3187 0.3187 5.5309 5.5309 5.5386 5.5386 6.4195 6.4195 6.4204 6.4204 7.9388 7.9388 7.9512 7.9512 10.6712 10.6712 10.6874 10.6874 k = 0.0454 0.1067 0.7605 ( 3678 PWs) bands (ev): -27.5547 -27.5547 -27.5547 -27.5547 -10.4477 -10.4477 -10.4456 -10.4456 -9.3654 -9.3654 -9.3541 -9.3541 -9.2789 -9.2789 -9.2704 -9.2704 0.3158 0.3158 0.3181 0.3181 5.5309 5.5309 5.5374 5.5374 6.4229 6.4229 6.4236 6.4236 7.9263 7.9263 7.9369 7.9369 10.6781 10.6781 10.6926 10.6926 k = 0.0379 0.0889 0.7605 ( 3686 PWs) bands (ev): -27.5547 -27.5547 -27.5547 -27.5547 -10.4472 -10.4472 -10.4455 -10.4455 -9.3639 -9.3639 -9.3546 -9.3546 -9.2782 -9.2782 -9.2712 -9.2712 0.3157 0.3157 0.3176 0.3176 5.5310 5.5310 5.5363 5.5363 6.4257 6.4257 6.4262 6.4262 7.9159 7.9159 7.9247 7.9247 10.6835 10.6835 10.6961 10.6961 k = 0.0303 0.0711 0.7605 ( 3682 PWs) bands (ev): -27.5548 -27.5548 -27.5548 -27.5548 -10.4468 -10.4468 -10.4454 -10.4454 -9.3624 -9.3624 -9.3552 -9.3552 -9.2775 -9.2775 -9.2721 -9.2721 0.3156 0.3156 0.3172 0.3172 5.5312 5.5312 5.5354 5.5354 6.4279 6.4279 6.4282 6.4282 7.9076 7.9076 7.9146 7.9146 10.6878 10.6878 10.6981 10.6981 k = 0.0227 0.0533 0.7605 ( 3682 PWs) bands (ev): -27.5548 -27.5548 -27.5548 -27.5548 -10.4465 -10.4465 -10.4454 -10.4454 -9.3611 -9.3611 -9.3558 -9.3558 -9.2768 -9.2768 -9.2728 -9.2728 0.3155 0.3155 0.3168 0.3168 5.5315 5.5315 5.5346 5.5346 6.4295 6.4295 6.4297 6.4297 7.9013 7.9013 7.9066 7.9066 10.6912 10.6912 10.6991 10.6991 k = 0.0151 0.0356 0.7605 ( 3678 PWs) bands (ev): -27.5548 -27.5548 -27.5548 -27.5548 -10.4462 -10.4462 -10.4455 -10.4455 -9.3600 -9.3600 -9.3564 -9.3564 -9.2761 -9.2761 -9.2735 -9.2735 0.3156 0.3156 0.3164 0.3164 5.5318 5.5318 5.5339 5.5339 6.4306 6.4306 6.4308 6.4308 7.8971 7.8971 7.9006 7.9006 10.6938 10.6938 10.6991 10.6991 k = 0.0076 0.0178 0.7605 ( 3680 PWs) bands (ev): -27.5548 -27.5548 -27.5548 -27.5548 -10.4459 -10.4459 -10.4456 -10.4456 -9.3589 -9.3589 -9.3572 -9.3572 -9.2755 -9.2755 -9.2742 -9.2742 0.3157 0.3157 0.3161 0.3161 5.5322 5.5322 5.5333 5.5333 6.4313 6.4313 6.4314 6.4314 7.8949 7.8949 7.8967 7.8967 10.6959 10.6959 10.6986 10.6986 k = 0.0000 0.0000 0.7605 ( 3688 PWs) bands (ev): -27.5548 -27.5548 -27.5548 -27.5548 -10.4457 -10.4457 -10.4457 -10.4457 -9.3580 -9.3580 -9.3580 -9.3580 -9.2749 -9.2749 -9.2749 -9.2749 0.3159 0.3159 0.3159 0.3159 5.5327 5.5327 5.5327 5.5327 6.4316 6.4316 6.4316 6.4316 7.8948 7.8948 7.8948 7.8948 10.6974 10.6974 10.6974 10.6974 k = 0.0000 0.0000 0.7605 ( 3688 PWs) bands (ev): -27.5548 -27.5548 -27.5548 -27.5548 -10.4457 -10.4457 -10.4457 -10.4457 -9.3580 -9.3580 -9.3580 -9.3580 -9.2749 -9.2749 -9.2749 -9.2749 0.3159 0.3159 0.3159 0.3159 5.5327 5.5327 5.5327 5.5327 6.4316 6.4316 6.4316 6.4316 7.8948 7.8948 7.8948 7.8948 10.6974 10.6974 10.6974 10.6974 k = 0.0000 0.0000 0.7410 ( 3676 PWs) bands (ev): -27.5558 -27.5558 -27.5538 -27.5538 -10.4493 -10.4493 -10.4420 -10.4420 -9.3623 -9.3623 -9.3534 -9.3534 -9.2784 -9.2784 -9.2712 -9.2712 0.2158 0.2158 0.4176 0.4176 5.4514 5.4514 5.6147 5.6147 6.3878 6.3878 6.4772 6.4772 7.8380 7.8380 7.9542 7.9542 10.6502 10.6502 10.7412 10.7412 k = 0.0000 0.0000 0.7215 ( 3680 PWs) bands (ev): -27.5569 -27.5569 -27.5528 -27.5528 -10.4527 -10.4527 -10.4380 -10.4380 -9.3664 -9.3664 -9.3487 -9.3487 -9.2818 -9.2818 -9.2674 -9.2674 0.1174 0.1174 0.5209 0.5209 5.3713 5.3713 5.6969 5.6969 6.3460 6.3460 6.5248 6.5248 7.7845 7.7845 8.0159 8.0159 10.6005 10.6005 10.7805 10.7805 k = 0.0000 0.0000 0.7020 ( 3676 PWs) bands (ev): -27.5580 -27.5580 -27.5519 -27.5519 -10.4560 -10.4560 -10.4340 -10.4340 -9.3702 -9.3702 -9.3437 -9.3437 -9.2850 -9.2850 -9.2636 -9.2636 0.0209 0.0209 0.6256 0.6256 5.2929 5.2929 5.7784 5.7784 6.3061 6.3061 6.5744 6.5744 7.7348 7.7348 8.0795 8.0795 10.5488 10.5488 10.8141 10.8141 k = 0.0000 0.0000 0.6825 ( 3676 PWs) bands (ev): -27.5591 -27.5591 -27.5510 -27.5510 -10.4590 -10.4590 -10.4297 -10.4297 -9.3738 -9.3738 -9.3387 -9.3387 -9.2879 -9.2879 -9.2597 -9.2597 -0.0737 -0.0737 0.7316 0.7316 5.2165 5.2165 5.8584 5.8584 6.2680 6.2680 6.6260 6.6260 7.6898 7.6898 8.1448 8.1448 10.4959 10.4959 10.8406 10.8406 k = 0.0000 0.0000 0.6630 ( 3672 PWs) bands (ev): -27.5603 -27.5603 -27.5501 -27.5501 -10.4619 -10.4619 -10.4254 -10.4254 -9.3772 -9.3772 -9.3336 -9.3336 -9.2904 -9.2904 -9.2557 -9.2557 -0.1664 -0.1664 0.8386 0.8386 5.1425 5.1425 5.9357 5.9357 6.2317 6.2317 6.6797 6.6797 7.6505 7.6505 8.2114 8.2114 10.4422 10.4422 10.8585 10.8585 k = 0.0000 0.0000 0.6435 ( 3676 PWs) bands (ev): -27.5615 -27.5615 -27.5493 -27.5493 -10.4647 -10.4647 -10.4209 -10.4209 -9.3803 -9.3803 -9.3288 -9.3288 -9.2923 -9.2923 -9.2518 -9.2518 -0.2569 -0.2569 0.9465 0.9465 5.0713 5.0713 6.0091 6.0091 6.1972 6.1972 6.7354 6.7354 7.6181 7.6181 8.2792 8.2792 10.3881 10.3881 10.8659 10.8659 k = 0.0000 0.0000 0.6240 ( 3668 PWs) bands (ev): -27.5627 -27.5627 -27.5486 -27.5486 -10.4672 -10.4672 -10.4162 -10.4162 -9.3833 -9.3833 -9.3243 -9.3243 -9.2933 -9.2933 -9.2478 -9.2478 -0.3454 -0.3454 1.0552 1.0552 5.0033 5.0033 6.0766 6.0766 6.1648 6.1648 6.7931 6.7931 7.5941 7.5941 8.3479 8.3479 10.3339 10.3339 10.8616 10.8616 k = 0.0000 0.0000 0.6045 ( 3676 PWs) bands (ev): -27.5639 -27.5639 -27.5478 -27.5478 -10.4696 -10.4696 -10.4115 -10.4115 -9.3860 -9.3860 -9.3207 -9.3207 -9.2931 -9.2931 -9.2437 -9.2437 -0.4316 -0.4316 1.1642 1.1642 4.9386 4.9386 6.1243 6.1243 6.1467 6.1467 6.8530 6.8530 7.5802 7.5802 8.4172 8.4172 10.2800 10.2800 10.8442 10.8442 k = 0.0000 0.0000 0.5850 ( 3656 PWs) bands (ev): -27.5652 -27.5652 -27.5471 -27.5471 -10.4719 -10.4719 -10.4067 -10.4067 -9.3887 -9.3887 -9.3183 -9.3183 -9.2911 -9.2911 -9.2397 -9.2397 -0.5157 -0.5157 1.2733 1.2733 4.8779 4.8779 6.1009 6.1009 6.1924 6.1924 6.9149 6.9149 7.5780 7.5780 8.4868 8.4868 10.2266 10.2266 10.8133 10.8133 k = 0.0000 0.0000 0.5655 ( 3656 PWs) bands (ev): -27.5664 -27.5664 -27.5465 -27.5465 -10.4740 -10.4740 -10.4019 -10.4019 -9.3912 -9.3912 -9.3172 -9.3172 -9.2875 -9.2875 -9.2355 -9.2355 -0.5974 -0.5974 1.3822 1.3822 4.8213 4.8213 6.0731 6.0731 6.2336 6.2336 6.9788 6.9788 7.5891 7.5891 8.5564 8.5564 10.1741 10.1741 10.7691 10.7691 k = 0.0000 0.0000 0.5460 ( 3652 PWs) bands (ev): -27.5677 -27.5677 -27.5459 -27.5459 -10.4759 -10.4759 -10.3969 -10.3969 -9.3937 -9.3937 -9.3169 -9.3169 -9.2827 -9.2827 -9.2314 -9.2314 -0.6769 -0.6769 1.4905 1.4905 4.7694 4.7694 6.0464 6.0464 6.2636 6.2636 7.0448 7.0448 7.6145 7.6145 8.6257 8.6257 10.1226 10.1226 10.7129 10.7129 k = 0.0000 0.0000 0.5265 ( 3644 PWs) bands (ev): -27.5689 -27.5689 -27.5453 -27.5453 -10.4778 -10.4778 -10.3920 -10.3920 -9.3961 -9.3961 -9.3169 -9.3169 -9.2770 -9.2770 -9.2271 -9.2271 -0.7539 -0.7539 1.5977 1.5977 4.7227 4.7227 6.0210 6.0210 6.2818 6.2818 7.1127 7.1127 7.6545 7.6545 8.6939 8.6939 10.0724 10.0724 10.6466 10.6466 k = 0.0000 0.0000 0.5070 ( 3648 PWs) bands (ev): -27.5702 -27.5702 -27.5448 -27.5448 -10.4795 -10.4795 -10.3870 -10.3870 -9.3985 -9.3985 -9.3170 -9.3170 -9.2710 -9.2710 -9.2227 -9.2227 -0.8286 -0.8286 1.7033 1.7033 4.6817 4.6817 5.9968 5.9968 6.2885 6.2885 7.1826 7.1826 7.7086 7.7086 8.7604 8.7604 10.0239 10.0239 10.5726 10.5726 k = 0.0000 0.0000 0.4875 ( 3648 PWs) bands (ev): -27.5715 -27.5715 -27.5443 -27.5443 -10.4811 -10.4811 -10.3820 -10.3820 -9.4009 -9.4009 -9.3170 -9.3170 -9.2648 -9.2648 -9.2181 -9.2181 -0.9008 -0.9008 1.8067 1.8067 4.6469 4.6469 5.9740 5.9740 6.2849 6.2849 7.2544 7.2544 7.7754 7.7754 8.8242 8.8242 9.9772 9.9772 10.4939 10.4939 k = 0.0000 0.0000 0.4680 ( 3658 PWs) bands (ev): -27.5727 -27.5727 -27.5439 -27.5439 -10.4826 -10.4826 -10.3771 -10.3771 -9.4033 -9.4033 -9.3168 -9.3168 -9.2586 -9.2586 -9.2133 -9.2133 -0.9706 -0.9706 1.9072 1.9072 4.6192 4.6192 5.9524 5.9524 6.2724 6.2724 7.3281 7.3281 7.8534 7.8534 8.8839 8.8839 9.9329 9.9329 10.4137 10.4137 k = 0.0000 0.0000 0.4485 ( 3662 PWs) bands (ev): -27.5740 -27.5740 -27.5435 -27.5435 -10.4840 -10.4840 -10.3722 -10.3722 -9.4057 -9.4057 -9.3163 -9.3163 -9.2526 -9.2526 -9.2082 -9.2082 -1.0378 -1.0378 2.0041 2.0041 4.5991 4.5991 5.9320 5.9320 6.2527 6.2527 7.4035 7.4035 7.9406 7.9406 8.9376 8.9376 9.8912 9.8912 10.3353 10.3353 k = 0.0000 0.0000 0.4290 ( 3668 PWs) bands (ev): -27.5752 -27.5752 -27.5431 -27.5431 -10.4853 -10.4853 -10.3674 -10.3674 -9.4082 -9.4082 -9.3154 -9.3154 -9.2469 -9.2469 -9.2028 -9.2028 -1.1024 -1.1024 2.0966 2.0966 4.5874 4.5874 5.9128 5.9128 6.2275 6.2275 7.4807 7.4807 8.0350 8.0350 8.9828 8.9828 9.8528 9.8528 10.2625 10.2625 k = 0.0000 0.0000 0.4095 ( 3666 PWs) bands (ev): -27.5764 -27.5764 -27.5427 -27.5427 -10.4865 -10.4865 -10.3627 -10.3627 -9.4106 -9.4106 -9.3142 -9.3142 -9.2416 -9.2416 -9.1970 -9.1970 -1.1645 -1.1645 2.1838 2.1838 4.5850 4.5850 5.8946 5.8946 6.1980 6.1980 7.5593 7.5593 8.1348 8.1348 9.0164 9.0164 9.8182 9.8182 10.1996 10.1996 k = 0.0000 0.0000 0.3900 ( 3670 PWs) bands (ev): -27.5776 -27.5776 -27.5424 -27.5424 -10.4876 -10.4876 -10.3580 -10.3580 -9.4131 -9.4131 -9.3128 -9.3128 -9.2366 -9.2366 -9.1910 -9.1910 -1.2240 -1.2240 2.2649 2.2649 4.5926 4.5926 5.8776 5.8776 6.1655 6.1655 7.6395 7.6395 8.2382 8.2382 9.0348 9.0348 9.7884 9.7884 10.1507 10.1507 k = 0.0000 0.0000 0.3705 ( 3666 PWs) bands (ev): -27.5787 -27.5787 -27.5421 -27.5421 -10.4887 -10.4887 -10.3535 -10.3535 -9.4156 -9.4156 -9.3110 -9.3110 -9.2321 -9.2321 -9.1846 -9.1846 -1.2808 -1.2808 2.3393 2.3393 4.6107 4.6107 5.8615 5.8615 6.1309 6.1309 7.7209 7.7209 8.3430 8.3430 9.0347 9.0347 9.7644 9.7644 10.1198 10.1198 k = 0.0000 0.0000 0.3510 ( 3674 PWs) bands (ev): -27.5799 -27.5799 -27.5419 -27.5419 -10.4897 -10.4897 -10.3491 -10.3491 -9.4181 -9.4181 -9.3090 -9.3090 -9.2281 -9.2281 -9.1780 -9.1780 -1.3349 -1.3349 2.4063 2.4063 4.6400 4.6400 5.8465 5.8465 6.0952 6.0952 7.8034 7.8034 8.4473 8.4473 9.0141 9.0141 9.7478 9.7478 10.1089 10.1089 k = 0.0000 0.0000 0.3315 ( 3688 PWs) bands (ev): -27.5810 -27.5810 -27.5417 -27.5417 -10.4907 -10.4907 -10.3449 -10.3449 -9.4206 -9.4206 -9.3068 -9.3068 -9.2244 -9.2244 -9.1712 -9.1712 -1.3863 -1.3863 2.4655 2.4655 4.6807 4.6807 5.8324 5.8324 6.0589 6.0589 7.8867 7.8867 8.5486 8.5486 8.9733 8.9733 9.7405 9.7405 10.1178 10.1178 k = 0.0000 0.0000 0.3120 ( 3688 PWs) bands (ev): -27.5820 -27.5820 -27.5415 -27.5415 -10.4915 -10.4915 -10.3408 -10.3408 -9.4231 -9.4231 -9.3044 -9.3044 -9.2211 -9.2211 -9.1643 -9.1643 -1.4349 -1.4349 2.5168 2.5168 4.7328 4.7328 5.8193 5.8193 6.0226 6.0226 7.9708 7.9708 8.6438 8.6438 8.9148 8.9148 9.7450 9.7450 10.1441 10.1441 k = 0.0000 0.0000 0.2925 ( 3680 PWs) bands (ev): -27.5830 -27.5830 -27.5413 -27.5413 -10.4924 -10.4924 -10.3369 -10.3369 -9.4255 -9.4255 -9.3018 -9.3018 -9.2182 -9.2182 -9.1574 -9.1574 -1.4808 -1.4808 2.5603 2.5603 4.7960 4.7960 5.8071 5.8071 5.9868 5.9868 8.0552 8.0552 8.7299 8.7299 8.8419 8.8419 9.7641 9.7641 10.1841 10.1841 k = 0.0000 0.0000 0.2730 ( 3680 PWs) bands (ev): -27.5840 -27.5840 -27.5411 -27.5411 -10.4931 -10.4931 -10.3332 -10.3332 -9.4278 -9.4278 -9.2992 -9.2992 -9.2155 -9.2155 -9.1506 -9.1506 -1.5238 -1.5238 2.5964 2.5964 4.8696 4.8696 5.7958 5.7958 5.9519 5.9519 8.1396 8.1396 8.7573 8.7573 8.8041 8.8041 9.8007 9.8007 10.2343 10.2343 k = 0.0000 0.0000 0.2535 ( 3678 PWs) bands (ev): -27.5849 -27.5849 -27.5410 -27.5410 -10.4939 -10.4939 -10.3297 -10.3297 -9.4300 -9.4300 -9.2965 -9.2965 -9.2132 -9.2132 -9.1439 -9.1439 -1.5641 -1.5641 2.6256 2.6256 4.9529 4.9529 5.7853 5.7853 5.9182 5.9182 8.2236 8.2236 8.6648 8.6648 8.8635 8.8635 9.8566 9.8566 10.2913 10.2913 k = 0.0000 0.0000 0.2340 ( 3678 PWs) bands (ev): -27.5858 -27.5858 -27.5409 -27.5409 -10.4945 -10.4945 -10.3265 -10.3265 -9.4321 -9.4321 -9.2938 -9.2938 -9.2110 -9.2110 -9.1374 -9.1374 -1.6014 -1.6014 2.6489 2.6489 5.0447 5.0447 5.7757 5.7757 5.8860 5.8860 8.3067 8.3067 8.5659 8.5659 8.9082 8.9082 9.9321 9.9321 10.3524 10.3524 k = 0.0000 0.0000 0.2145 ( 3672 PWs) bands (ev): -27.5866 -27.5866 -27.5408 -27.5408 -10.4951 -10.4951 -10.3234 -10.3234 -9.4341 -9.4341 -9.2912 -9.2912 -9.2091 -9.2091 -9.1312 -9.1312 -1.6359 -1.6359 2.6668 2.6668 5.1438 5.1438 5.7668 5.7668 5.8556 5.8556 8.3882 8.3882 8.4625 8.4625 8.9394 8.9394 10.0257 10.0257 10.4152 10.4152 k = 0.0000 0.0000 0.1950 ( 3672 PWs) bands (ev): -27.5873 -27.5873 -27.5407 -27.5407 -10.4957 -10.4957 -10.3206 -10.3206 -9.4360 -9.4360 -9.2886 -9.2886 -9.2074 -9.2074 -9.1254 -9.1254 -1.6675 -1.6675 2.6803 2.6803 5.2488 5.2488 5.7588 5.7588 5.8272 5.8272 8.3547 8.3547 8.4685 8.4685 8.9595 8.9595 10.1345 10.1345 10.4773 10.4773 k = 0.0000 0.0000 0.1755 ( 3670 PWs) bands (ev): -27.5880 -27.5880 -27.5406 -27.5406 -10.4962 -10.4962 -10.3181 -10.3181 -9.4377 -9.4377 -9.2862 -9.2862 -9.2059 -9.2059 -9.1200 -9.1200 -1.6962 -1.6962 2.6902 2.6902 5.3583 5.3583 5.7515 5.7515 5.8011 5.8011 8.2454 8.2454 8.5453 8.5453 8.9712 8.9712 10.2556 10.2556 10.5362 10.5362 k = 0.0000 0.0000 0.1560 ( 3670 PWs) bands (ev): -27.5886 -27.5886 -27.5405 -27.5405 -10.4967 -10.4967 -10.3158 -10.3158 -9.4393 -9.4393 -9.2839 -9.2839 -9.2045 -9.2045 -9.1150 -9.1150 -1.7218 -1.7218 2.6972 2.6972 5.4706 5.4706 5.7449 5.7449 5.7774 5.7774 8.1347 8.1347 8.6185 8.6185 8.9771 8.9771 10.3861 10.3861 10.5876 10.5876 k = 0.0000 0.0000 0.1365 ( 3670 PWs) bands (ev): -27.5891 -27.5891 -27.5405 -27.5405 -10.4971 -10.4971 -10.3137 -10.3137 -9.4407 -9.4407 -9.2817 -9.2817 -9.2034 -9.2034 -9.1105 -9.1105 -1.7446 -1.7446 2.7020 2.7020 5.5837 5.5837 5.7389 5.7389 5.7566 5.7566 8.0242 8.0242 8.6870 8.6870 8.9793 8.9793 10.5234 10.5234 10.6224 10.6224 k = 0.0000 0.0000 0.1170 ( 3670 PWs) bands (ev): -27.5896 -27.5896 -27.5404 -27.5404 -10.4975 -10.4975 -10.3120 -10.3120 -9.4420 -9.4420 -9.2798 -9.2798 -9.2024 -9.2024 -9.1065 -9.1065 -1.7643 -1.7643 2.7050 2.7050 5.6944 5.6944 5.7327 5.7327 5.7405 5.7405 7.9155 7.9155 8.7497 8.7497 8.9792 8.9792 10.6245 10.6245 10.6653 10.6653 k = 0.0000 0.0000 0.0975 ( 3672 PWs) bands (ev): -27.5900 -27.5900 -27.5404 -27.5404 -10.4978 -10.4978 -10.3104 -10.3104 -9.4430 -9.4430 -9.2782 -9.2782 -9.2016 -9.2016 -9.1030 -9.1030 -1.7810 -1.7810 2.7069 2.7069 5.7179 5.7179 5.7323 5.7323 5.8052 5.8052 7.8109 7.8109 8.8053 8.8053 8.9783 8.9783 10.5934 10.5934 10.8090 10.8090 k = 0.0000 0.0000 0.0780 ( 3661 PWs) bands (ev): -27.5904 -27.5904 -27.5404 -27.5404 -10.4980 -10.4980 -10.3092 -10.3092 -9.4439 -9.4439 -9.2768 -9.2768 -9.2009 -9.2009 -9.1002 -9.1002 -1.7947 -1.7947 2.7079 2.7079 5.7057 5.7057 5.7284 5.7284 5.9053 5.9053 7.7136 7.7136 8.8522 8.8522 8.9774 8.9774 10.5514 10.5514 10.8671 10.8671 k = 0.0000 0.0000 0.0585 ( 3657 PWs) bands (ev): -27.5906 -27.5906 -27.5403 -27.5403 -10.4982 -10.4982 -10.3082 -10.3082 -9.4446 -9.4446 -9.2757 -9.2757 -9.2004 -9.2004 -9.0979 -9.0979 -1.8054 -1.8054 2.7083 2.7083 5.6956 5.6956 5.7255 5.7255 5.9937 5.9937 7.6280 7.6280 8.8888 8.8888 8.9777 8.9777 10.5132 10.5132 10.8926 10.8926 k = 0.0000 0.0000 0.0390 ( 3659 PWs) bands (ev): -27.5908 -27.5908 -27.5403 -27.5403 -10.4983 -10.4983 -10.3075 -10.3075 -9.4451 -9.4451 -9.2749 -9.2749 -9.2000 -9.2000 -9.0963 -9.0963 -1.8130 -1.8130 2.7085 2.7085 5.6883 5.6883 5.7236 5.7236 6.0642 6.0642 7.5596 7.5596 8.9137 8.9137 8.9799 8.9799 10.4842 10.4842 10.9131 10.9131 k = 0.0000 0.0000 0.0195 ( 3655 PWs) bands (ev): -27.5909 -27.5909 -27.5403 -27.5403 -10.4984 -10.4984 -10.3071 -10.3071 -9.4454 -9.4454 -9.2744 -9.2744 -9.1998 -9.1998 -9.0954 -9.0954 -1.8176 -1.8176 2.7085 2.7085 5.6839 5.6839 5.7224 5.7224 6.1103 6.1103 7.5148 7.5148 8.9269 8.9269 8.9833 8.9833 10.4663 10.4663 10.9262 10.9262 k = 0.0000 0.0000 0.0000 ( 3663 PWs) bands (ev): -27.5910 -27.5910 -27.5403 -27.5403 -10.4985 -10.4985 -10.3070 -10.3070 -9.4455 -9.4455 -9.2743 -9.2743 -9.1997 -9.1997 -9.0950 -9.0950 -1.8191 -1.8191 2.7085 2.7085 5.6824 5.6824 5.7221 5.7221 6.1264 6.1264 7.4991 7.4991 8.9308 8.9308 8.9850 8.9850 10.4603 10.4603 10.9307 10.9307 k = 0.0000 0.0000 0.0000 ( 3663 PWs) bands (ev): -27.5910 -27.5910 -27.5403 -27.5403 -10.4985 -10.4985 -10.3070 -10.3070 -9.4455 -9.4455 -9.2743 -9.2743 -9.1997 -9.1997 -9.0950 -9.0950 -1.8191 -1.8191 2.7085 2.7085 5.6824 5.6824 5.7221 5.7221 6.1264 6.1264 7.4991 7.4991 8.9308 8.9308 8.9850 8.9850 10.4603 10.4603 10.9307 10.9307 k =-0.0179 0.0076 0.0000 ( 3667 PWs) bands (ev): -27.5909 -27.5909 -27.5403 -27.5403 -10.4983 -10.4983 -10.3071 -10.3071 -9.4453 -9.4453 -9.2743 -9.2743 -9.1997 -9.1997 -9.0952 -9.0952 -1.8184 -1.8184 2.7067 2.7067 5.6857 5.6857 5.7225 5.7225 6.1262 6.1262 7.5003 7.5003 8.9296 8.9296 8.9819 8.9819 10.4593 10.4593 10.9268 10.9268 k =-0.0357 0.0152 0.0000 ( 3657 PWs) bands (ev): -27.5908 -27.5908 -27.5405 -27.5405 -10.4979 -10.4979 -10.3076 -10.3076 -9.4447 -9.4447 -9.2743 -9.2743 -9.1999 -9.1999 -9.0959 -9.0959 -1.8163 -1.8163 2.7011 2.7011 5.6957 5.6957 5.7240 5.7240 6.1254 6.1254 7.5038 7.5038 8.9238 8.9238 8.9752 8.9752 10.4560 10.4560 10.9162 10.9162 k =-0.0536 0.0228 0.0000 ( 3661 PWs) bands (ev): -27.5906 -27.5906 -27.5407 -27.5407 -10.4972 -10.4972 -10.3084 -10.3084 -9.4438 -9.4438 -9.2743 -9.2743 -9.2000 -9.2000 -9.0969 -9.0969 -1.8129 -1.8129 2.6919 2.6919 5.7117 5.7117 5.7270 5.7270 6.1241 6.1241 7.5095 7.5095 8.9075 8.9075 8.9715 8.9715 10.4496 10.4496 10.9008 10.9008 k =-0.0714 0.0304 0.0000 ( 3665 PWs) bands (ev): -27.5903 -27.5903 -27.5409 -27.5409 -10.4962 -10.4962 -10.3096 -10.3096 -9.4425 -9.4425 -9.2743 -9.2743 -9.2003 -9.2003 -9.0984 -9.0984 -1.8082 -1.8082 2.6793 2.6793 5.7260 5.7260 5.7389 5.7389 6.1223 6.1223 7.5172 7.5172 8.8785 8.8785 8.9743 8.9743 10.4391 10.4391 10.8831 10.8831 k =-0.0893 0.0380 0.0000 ( 3663 PWs) bands (ev): -27.5900 -27.5900 -27.5413 -27.5413 -10.4950 -10.4950 -10.3110 -10.3110 -9.4409 -9.4409 -9.2743 -9.2743 -9.2006 -9.2006 -9.1003 -9.1003 -1.8022 -1.8022 2.6637 2.6637 5.7313 5.7313 5.7667 5.7667 6.1201 6.1201 7.5267 7.5267 8.8396 8.8396 8.9821 8.9821 10.4232 10.4232 10.8649 10.8649 k =-0.1071 0.0457 0.0000 ( 3663 PWs) bands (ev): -27.5896 -27.5896 -27.5417 -27.5417 -10.4934 -10.4934 -10.3128 -10.3128 -9.4388 -9.4388 -9.2744 -9.2744 -9.2010 -9.2010 -9.1025 -9.1025 -1.7950 -1.7950 2.6452 2.6452 5.7361 5.7361 5.8014 5.8014 6.1174 6.1174 7.5376 7.5376 8.7939 8.7939 8.9934 8.9934 10.4012 10.4012 10.8476 10.8476 k =-0.1250 0.0533 0.0000 ( 3659 PWs) bands (ev): -27.5891 -27.5891 -27.5422 -27.5422 -10.4916 -10.4916 -10.3149 -10.3149 -9.4365 -9.4365 -9.2746 -9.2746 -9.2014 -9.2014 -9.1051 -9.1051 -1.7866 -1.7866 2.6242 2.6242 5.7414 5.7414 5.8417 5.8417 6.1143 6.1143 7.5495 7.5495 8.7436 8.7436 9.0076 9.0076 10.3725 10.3725 10.8320 10.8320 k =-0.1429 0.0609 0.0000 ( 3661 PWs) bands (ev): -27.5885 -27.5885 -27.5428 -27.5428 -10.4896 -10.4896 -10.3172 -10.3172 -9.4338 -9.4338 -9.2748 -9.2748 -9.2019 -9.2019 -9.1080 -9.1080 -1.7773 -1.7773 2.6012 2.6012 5.7473 5.7473 5.8868 5.8868 6.1109 6.1109 7.5619 7.5619 8.6907 8.6907 9.0244 9.0244 10.3371 10.3371 10.8187 10.8187 k =-0.1607 0.0685 0.0000 ( 3647 PWs) bands (ev): -27.5878 -27.5878 -27.5435 -27.5435 -10.4872 -10.4872 -10.3199 -10.3199 -9.4307 -9.4307 -9.2751 -9.2751 -9.2023 -9.2023 -9.1113 -9.1113 -1.7670 -1.7670 2.5765 2.5765 5.7537 5.7537 5.9364 5.9364 6.1071 6.1071 7.5741 7.5741 8.6367 8.6367 9.0436 9.0436 10.2956 10.2956 10.8081 10.8081 k =-0.1786 0.0761 0.0000 ( 3655 PWs) bands (ev): -27.5871 -27.5871 -27.5442 -27.5442 -10.4847 -10.4847 -10.3228 -10.3228 -9.4274 -9.4274 -9.2755 -9.2755 -9.2028 -9.2028 -9.1148 -9.1148 -1.7560 -1.7560 2.5505 2.5505 5.7606 5.7606 5.9898 5.9898 6.1031 6.1031 7.5855 7.5855 8.5830 8.5830 9.0653 9.0653 10.2490 10.2490 10.8003 10.8003 k =-0.1964 0.0837 0.0000 ( 3651 PWs) bands (ev): -27.5864 -27.5864 -27.5450 -27.5450 -10.4818 -10.4818 -10.3260 -10.3260 -9.4237 -9.4237 -9.2761 -9.2761 -9.2032 -9.2032 -9.1185 -9.1185 -1.7442 -1.7442 2.5236 2.5236 5.7680 5.7680 6.0465 6.0465 6.0989 6.0989 7.5952 7.5952 8.5308 8.5308 9.0893 9.0893 10.1989 10.1989 10.7955 10.7955 k =-0.2143 0.0913 0.0000 ( 3647 PWs) bands (ev): -27.5855 -27.5855 -27.5458 -27.5458 -10.4788 -10.4788 -10.3295 -10.3295 -9.4197 -9.4197 -9.2768 -9.2768 -9.2036 -9.2036 -9.1224 -9.1224 -1.7319 -1.7319 2.4961 2.4961 5.7757 5.7757 6.0944 6.0944 6.1062 6.1062 7.6026 7.6026 8.4810 8.4810 9.1157 9.1157 10.1469 10.1469 10.7936 10.7936 k =-0.2321 0.0989 0.0000 ( 3649 PWs) bands (ev): -27.5846 -27.5846 -27.5467 -27.5467 -10.4755 -10.4755 -10.3331 -10.3331 -9.4155 -9.4155 -9.2778 -9.2778 -9.2040 -9.2040 -9.1265 -9.1265 -1.7193 -1.7193 2.4685 2.4685 5.7836 5.7836 6.0899 6.0899 6.1680 6.1680 7.6070 7.6070 8.4343 8.4343 9.1444 9.1444 10.0948 10.0948 10.7946 10.7946 k =-0.2500 0.1065 0.0000 ( 3647 PWs) bands (ev): -27.5836 -27.5836 -27.5477 -27.5477 -10.4720 -10.4720 -10.3370 -10.3370 -9.4110 -9.4110 -9.2790 -9.2790 -9.2042 -9.2042 -9.1307 -9.1307 -1.7064 -1.7064 2.4411 2.4411 5.7917 5.7917 6.0853 6.0853 6.2315 6.2315 7.6081 7.6081 8.3909 8.3909 9.1755 9.1755 10.0445 10.0445 10.7982 10.7982 k =-0.2679 0.1141 0.0000 ( 3645 PWs) bands (ev): -27.5826 -27.5826 -27.5487 -27.5487 -10.4683 -10.4683 -10.3412 -10.3412 -9.4062 -9.4062 -9.2805 -9.2805 -9.2044 -9.2044 -9.1350 -9.1350 -1.6934 -1.6934 2.4142 2.4142 5.7999 5.7999 6.0807 6.0807 6.2962 6.2962 7.6056 7.6056 8.3504 8.3504 9.2088 9.2088 9.9980 9.9980 10.8040 10.8040 k =-0.2857 0.1217 0.0000 ( 3640 PWs) bands (ev): -27.5815 -27.5815 -27.5498 -27.5498 -10.4644 -10.4644 -10.3455 -10.3455 -9.4012 -9.4012 -9.2824 -9.2824 -9.2044 -9.2044 -9.1393 -9.1393 -1.6805 -1.6805 2.3881 2.3881 5.8080 5.8080 6.0762 6.0762 6.3614 6.3614 7.6001 7.6001 8.3122 8.3122 9.2445 9.2445 9.9568 9.9568 10.8087 10.8087 k =-0.3036 0.1294 0.0000 ( 3650 PWs) bands (ev): -27.5804 -27.5804 -27.5509 -27.5509 -10.4603 -10.4603 -10.3500 -10.3500 -9.3960 -9.3960 -9.2845 -9.2845 -9.2043 -9.2043 -9.1436 -9.1436 -1.6679 -1.6679 2.3630 2.3630 5.8159 5.8159 6.0718 6.0718 6.4264 6.4264 7.5924 7.5924 8.2751 8.2751 9.2825 9.2825 9.9224 9.9224 10.7507 10.7507 k =-0.3214 0.1370 0.0000 ( 3654 PWs) bands (ev): -27.5793 -27.5793 -27.5521 -27.5521 -10.4560 -10.4560 -10.3546 -10.3546 -9.3905 -9.3905 -9.2870 -9.2870 -9.2040 -9.2040 -9.1478 -9.1478 -1.6557 -1.6557 2.3393 2.3393 5.8236 5.8236 6.0676 6.0676 6.4905 6.4905 7.5835 7.5835 8.2377 8.2377 9.3229 9.3229 9.8960 9.8960 10.6622 10.6622 k =-0.3393 0.1446 0.0000 ( 3654 PWs) bands (ev): -27.5781 -27.5781 -27.5533 -27.5533 -10.4516 -10.4516 -10.3594 -10.3594 -9.3850 -9.3850 -9.2899 -9.2899 -9.2036 -9.2036 -9.1520 -9.1520 -1.6440 -1.6440 2.3171 2.3171 5.8310 5.8310 6.0636 6.0636 6.5527 6.5527 7.5751 7.5751 8.1987 8.1987 9.3655 9.3655 9.8780 9.8780 10.5742 10.5742 k =-0.3571 0.1522 0.0000 ( 3640 PWs) bands (ev): -27.5768 -27.5768 -27.5545 -27.5545 -10.4469 -10.4469 -10.3643 -10.3643 -9.3792 -9.3792 -9.2932 -9.2932 -9.2030 -9.2030 -9.1560 -9.1560 -1.6331 -1.6331 2.2968 2.2968 5.8379 5.8379 6.0599 6.0599 6.6122 6.6122 7.5688 7.5688 8.1572 8.1572 9.4105 9.4105 9.8685 9.8685 10.4878 10.4878 k =-0.3750 0.1598 0.0000 ( 3644 PWs) bands (ev): -27.5756 -27.5756 -27.5558 -27.5558 -10.4422 -10.4422 -10.3693 -10.3693 -9.3734 -9.3734 -9.2968 -9.2968 -9.2023 -9.2023 -9.1598 -9.1598 -1.6231 -1.6231 2.2783 2.2783 5.8442 5.8442 6.0565 6.0565 6.6678 6.6678 7.5663 7.5663 8.1124 8.1124 9.4578 9.4578 9.8667 9.8667 10.4036 10.4036 k =-0.3929 0.1674 0.0000 ( 3652 PWs) bands (ev): -27.5743 -27.5743 -27.5571 -27.5571 -10.4373 -10.4373 -10.3745 -10.3745 -9.3675 -9.3675 -9.3008 -9.3008 -9.2014 -9.2014 -9.1634 -9.1634 -1.6141 -1.6141 2.2620 2.2620 5.8499 5.8499 6.0535 6.0535 6.7183 6.7183 7.5692 7.5692 8.0643 8.0643 9.5074 9.5074 9.8715 9.8715 10.3216 10.3216 k =-0.4107 0.1750 0.0000 ( 3652 PWs) bands (ev): -27.5730 -27.5730 -27.5584 -27.5584 -10.4324 -10.4324 -10.3797 -10.3797 -9.3615 -9.3615 -9.3052 -9.3052 -9.2004 -9.2004 -9.1667 -9.1667 -1.6063 -1.6063 2.2479 2.2479 5.8549 5.8549 6.0509 6.0509 6.7625 6.7625 7.5789 7.5789 8.0131 8.0131 9.5591 9.5591 9.8809 9.8809 10.2423 10.2423 k =-0.4286 0.1826 0.0000 ( 3662 PWs) bands (ev): -27.5717 -27.5717 -27.5596 -27.5596 -10.4273 -10.4273 -10.3849 -10.3849 -9.3555 -9.3555 -9.3098 -9.3098 -9.1994 -9.1994 -9.1696 -9.1696 -1.5997 -1.5997 2.2362 2.2362 5.8591 5.8591 6.0487 6.0487 6.7995 6.7995 7.5964 7.5964 7.9595 7.9595 9.6129 9.6129 9.8930 9.8930 10.1659 10.1659 k =-0.4464 0.1902 0.0000 ( 3662 PWs) bands (ev): -27.5704 -27.5704 -27.5609 -27.5609 -10.4221 -10.4221 -10.3902 -10.3902 -9.3495 -9.3495 -9.3148 -9.3148 -9.1983 -9.1983 -9.1722 -9.1722 -1.5945 -1.5945 2.2271 2.2271 5.8624 5.8624 6.0469 6.0469 6.8285 6.8285 7.6222 7.6222 7.9047 7.9047 9.6681 9.6681 9.9051 9.9051 10.0933 10.0933 k =-0.4643 0.1978 0.0000 ( 3658 PWs) bands (ev): -27.5692 -27.5692 -27.5621 -27.5621 -10.4169 -10.4169 -10.3956 -10.3956 -9.3436 -9.3436 -9.3199 -9.3199 -9.1974 -9.1974 -9.1741 -9.1741 -1.5907 -1.5907 2.2204 2.2204 5.8648 5.8648 6.0457 6.0457 6.8492 6.8492 7.6559 7.6559 7.8497 7.8497 9.7237 9.7237 9.9146 9.9146 10.0262 10.0262 k =-0.4821 0.2054 0.0000 ( 3664 PWs) bands (ev): -27.5683 -27.5683 -27.5631 -27.5631 -10.4116 -10.4116 -10.4009 -10.4009 -9.3380 -9.3380 -9.3250 -9.3250 -9.1968 -9.1968 -9.1754 -9.1754 -1.5884 -1.5884 2.2164 2.2164 5.8663 5.8663 6.0449 6.0449 6.8616 6.8616 7.6964 7.6964 7.7962 7.7962 9.7750 9.7750 9.9170 9.9170 9.9722 9.9722 k =-0.5000 0.2130 0.0000 ( 3664 PWs) bands (ev): -27.5679 -27.5679 -27.5635 -27.5635 -10.4067 -10.4067 -10.4059 -10.4059 -9.3345 -9.3345 -9.3284 -9.3284 -9.1966 -9.1966 -9.1759 -9.1759 -1.5877 -1.5877 2.2151 2.2151 5.8667 5.8667 6.0447 6.0447 6.8657 6.8657 7.7347 7.7347 7.7536 7.7536 9.8019 9.8019 9.9101 9.9101 9.9522 9.9522 k =-0.5000 0.2130 0.0000 ( 3664 PWs) bands (ev): -27.5679 -27.5679 -27.5635 -27.5635 -10.4067 -10.4067 -10.4059 -10.4059 -9.3345 -9.3345 -9.3284 -9.3284 -9.1966 -9.1966 -9.1759 -9.1759 -1.5877 -1.5877 2.2151 2.2151 5.8667 5.8667 6.0447 6.0447 6.8657 6.8657 7.7347 7.7347 7.7536 7.7536 9.8019 9.8019 9.9101 9.9101 9.9522 9.9522 k =-0.4924 0.2308-0.0000 ( 3664 PWs) bands (ev): -27.5679 -27.5679 -27.5635 -27.5635 -10.4072 -10.4072 -10.4054 -10.4054 -9.3351 -9.3351 -9.3279 -9.3279 -9.1966 -9.1966 -9.1758 -9.1758 -1.5871 -1.5871 2.2165 2.2165 5.8616 5.8616 6.0441 6.0441 6.8655 6.8655 7.7363 7.7363 7.7578 7.7578 9.7178 9.7178 9.9333 9.9333 10.0099 10.0099 k =-0.4848 0.2486-0.0000 ( 3666 PWs) bands (ev): -27.5679 -27.5679 -27.5634 -27.5634 -10.4081 -10.4081 -10.4048 -10.4048 -9.3367 -9.3367 -9.3267 -9.3267 -9.1968 -9.1968 -9.1756 -9.1756 -1.5854 -1.5854 2.2208 2.2208 5.8464 5.8464 6.0422 6.0422 6.8649 6.8649 7.7410 7.7410 7.7702 7.7702 9.5898 9.5898 9.9406 9.9406 10.1204 10.1204 k =-0.4773 0.2664-0.0000 ( 3662 PWs) bands (ev): -27.5680 -27.5680 -27.5633 -27.5633 -10.4092 -10.4092 -10.4042 -10.4042 -9.3387 -9.3387 -9.3254 -9.3254 -9.1970 -9.1970 -9.1752 -9.1752 -1.5826 -1.5826 2.2278 2.2278 5.8216 5.8216 6.0393 6.0393 6.8639 6.8639 7.7489 7.7489 7.7906 7.7906 9.4557 9.4557 9.9490 9.9490 10.2278 10.2278 k =-0.4697 0.2842-0.0000 ( 3658 PWs) bands (ev): -27.5680 -27.5680 -27.5632 -27.5632 -10.4103 -10.4103 -10.4037 -10.4037 -9.3410 -9.3410 -9.3241 -9.3241 -9.1974 -9.1974 -9.1748 -9.1748 -1.5787 -1.5787 2.2377 2.2377 5.7880 5.7880 6.0351 6.0351 6.8624 6.8624 7.7599 7.7599 7.8182 7.8182 9.3195 9.3195 9.9602 9.9602 10.3237 10.3237 k =-0.4621 0.3020-0.0000 ( 3650 PWs) bands (ev): -27.5681 -27.5681 -27.5631 -27.5631 -10.4115 -10.4115 -10.4033 -10.4033 -9.3433 -9.3433 -9.3229 -9.3229 -9.1978 -9.1978 -9.1741 -9.1741 -1.5737 -1.5737 2.2502 2.2502 5.7465 5.7465 6.0299 6.0299 6.8604 6.8604 7.7739 7.7739 7.8524 7.8524 9.1827 9.1827 9.9744 9.9744 10.4041 10.4041 k =-0.4545 0.3198-0.0000 ( 3648 PWs) bands (ev): -27.5682 -27.5682 -27.5629 -27.5629 -10.4128 -10.4128 -10.4030 -10.4030 -9.3458 -9.3458 -9.3219 -9.3219 -9.1984 -9.1984 -9.1734 -9.1734 -1.5677 -1.5677 2.2655 2.2655 5.6980 5.6980 6.0236 6.0236 6.8577 6.8577 7.7909 7.7909 7.8924 7.8924 9.0462 9.0462 9.9916 9.9916 10.4664 10.4664 k =-0.4470 0.3375-0.0000 ( 3656 PWs) bands (ev): -27.5684 -27.5684 -27.5627 -27.5627 -10.4142 -10.4142 -10.4027 -10.4027 -9.3483 -9.3483 -9.3211 -9.3211 -9.1990 -9.1990 -9.1725 -9.1725 -1.5607 -1.5607 2.2834 2.2834 5.6437 5.6437 6.0164 6.0164 6.8545 6.8545 7.8108 7.8108 7.9374 7.9374 8.9107 8.9107 10.0120 10.0120 10.5103 10.5103 k =-0.4394 0.3553-0.0000 ( 3656 PWs) bands (ev): -27.5685 -27.5685 -27.5625 -27.5625 -10.4156 -10.4156 -10.4025 -10.4025 -9.3508 -9.3508 -9.3205 -9.3205 -9.1997 -9.1997 -9.1715 -9.1715 -1.5528 -1.5528 2.3039 2.3039 5.5844 5.5844 6.0083 6.0083 6.8507 6.8507 7.8333 7.8333 7.9868 7.9868 8.7767 8.7767 10.0353 10.0353 10.5369 10.5369 k =-0.4318 0.3731-0.0000 ( 3656 PWs) bands (ev): -27.5687 -27.5687 -27.5623 -27.5623 -10.4172 -10.4172 -10.4024 -10.4024 -9.3534 -9.3534 -9.3201 -9.3201 -9.2005 -9.2005 -9.1704 -9.1704 -1.5440 -1.5440 2.3268 2.3268 5.5211 5.5211 5.9995 5.9995 6.8464 6.8464 7.8580 7.8580 8.0398 8.0398 8.6450 8.6450 10.0616 10.0616 10.5481 10.5481 k =-0.4242 0.3909-0.0000 ( 3648 PWs) bands (ev): -27.5689 -27.5689 -27.5620 -27.5620 -10.4188 -10.4188 -10.4023 -10.4023 -9.3559 -9.3559 -9.3199 -9.3199 -9.2013 -9.2013 -9.1692 -9.1692 -1.5345 -1.5345 2.3522 2.3522 5.4546 5.4546 5.9900 5.9900 6.8417 6.8417 7.8844 7.8844 8.0958 8.0958 8.5164 8.5164 10.0909 10.0909 10.5419 10.5419 k =-0.4166 0.4087-0.0000 ( 3652 PWs) bands (ev): -27.5691 -27.5691 -27.5617 -27.5617 -10.4204 -10.4204 -10.4022 -10.4022 -9.3585 -9.3585 -9.3198 -9.3198 -9.2022 -9.2022 -9.1678 -9.1678 -1.5243 -1.5243 2.3798 2.3798 5.3855 5.3855 5.9800 5.9800 6.8367 6.8367 7.9112 7.9112 8.1544 8.1544 8.3925 8.3925 10.1229 10.1229 10.5063 10.5063 k =-0.4091 0.4265-0.0000 ( 3648 PWs) bands (ev): -27.5693 -27.5693 -27.5613 -27.5613 -10.4222 -10.4222 -10.4022 -10.4022 -9.3610 -9.3610 -9.3200 -9.3200 -9.2031 -9.2031 -9.1664 -9.1664 -1.5134 -1.5134 2.4095 2.4095 5.3147 5.3147 5.9696 5.9696 6.8315 6.8315 7.9346 7.9346 8.2150 8.2150 8.2771 8.2771 10.1576 10.1576 10.4543 10.4543 k =-0.4015 0.4443-0.0000 ( 3648 PWs) bands (ev): -27.5696 -27.5696 -27.5610 -27.5610 -10.4239 -10.4239 -10.4022 -10.4022 -9.3635 -9.3635 -9.3204 -9.3204 -9.2041 -9.2041 -9.1649 -9.1649 -1.5020 -1.5020 2.4413 2.4413 5.2426 5.2426 5.9588 5.9588 6.8261 6.8261 7.9434 7.9434 8.1809 8.1809 8.2781 8.2781 10.1947 10.1947 10.4000 10.4000 k =-0.3939 0.4620-0.0000 ( 3648 PWs) bands (ev): -27.5698 -27.5698 -27.5606 -27.5606 -10.4258 -10.4258 -10.4022 -10.4022 -9.3659 -9.3659 -9.3209 -9.3209 -9.2051 -9.2051 -9.1633 -9.1633 -1.4902 -1.4902 2.4749 2.4749 5.1698 5.1698 5.9479 5.9479 6.8207 6.8207 7.9098 7.9098 8.1330 8.1330 8.3422 8.3422 10.2329 10.2329 10.3472 10.3472 k =-0.3863 0.4798-0.0000 ( 3644 PWs) bands (ev): -27.5701 -27.5701 -27.5602 -27.5602 -10.4276 -10.4276 -10.4022 -10.4022 -9.3682 -9.3682 -9.3215 -9.3215 -9.2062 -9.2062 -9.1616 -9.1616 -1.4781 -1.4781 2.5103 2.5103 5.0968 5.0968 5.9369 5.9369 6.8154 6.8154 7.8277 7.8277 8.1390 8.1390 8.4076 8.4076 10.2611 10.2611 10.3076 10.3076 k =-0.3787 0.4976-0.0000 ( 3648 PWs) bands (ev): -27.5704 -27.5704 -27.5598 -27.5598 -10.4296 -10.4296 -10.4022 -10.4022 -9.3705 -9.3705 -9.3223 -9.3223 -9.2073 -9.2073 -9.1598 -9.1598 -1.4658 -1.4658 2.5471 2.5471 5.0241 5.0241 5.9260 5.9260 6.8103 6.8103 7.7262 7.7262 8.1698 8.1698 8.4743 8.4743 10.2303 10.2303 10.3301 10.3301 k =-0.3712 0.5154-0.0000 ( 3648 PWs) bands (ev): -27.5708 -27.5708 -27.5593 -27.5593 -10.4315 -10.4315 -10.4021 -10.4021 -9.3728 -9.3728 -9.3232 -9.3232 -9.2084 -9.2084 -9.1580 -9.1580 -1.4534 -1.4534 2.5853 2.5853 4.9520 4.9520 5.9153 5.9153 6.8054 6.8054 7.6203 7.6203 8.2104 8.2104 8.5420 8.5420 10.1823 10.1823 10.3690 10.3690 k =-0.3636 0.5332-0.0000 ( 3646 PWs) bands (ev): -27.5711 -27.5711 -27.5589 -27.5589 -10.4335 -10.4335 -10.4020 -10.4020 -9.3749 -9.3749 -9.3242 -9.3242 -9.2095 -9.2095 -9.1561 -9.1561 -1.4411 -1.4411 2.6246 2.6246 4.8810 4.8810 5.9048 5.9048 6.8009 6.8009 7.5150 7.5150 8.2560 8.2560 8.6107 8.6107 10.1346 10.1346 10.3803 10.3803 k =-0.3560 0.5510-0.0000 ( 3638 PWs) bands (ev): -27.5715 -27.5715 -27.5584 -27.5584 -10.4356 -10.4356 -10.4018 -10.4018 -9.3770 -9.3770 -9.3252 -9.3252 -9.2106 -9.2106 -9.1542 -9.1542 -1.4290 -1.4290 2.6647 2.6647 4.8113 4.8113 5.8947 5.8947 6.7967 6.7967 7.4119 7.4119 8.3047 8.3047 8.6802 8.6802 10.0887 10.0887 10.3592 10.3592 k =-0.3484 0.5687-0.0000 ( 3638 PWs) bands (ev): -27.5718 -27.5718 -27.5579 -27.5579 -10.4376 -10.4376 -10.4016 -10.4016 -9.3790 -9.3790 -9.3263 -9.3263 -9.2118 -9.2118 -9.1522 -9.1522 -1.4171 -1.4171 2.7055 2.7055 4.7434 4.7434 5.8851 5.8851 6.7931 6.7931 7.3121 7.3121 8.3555 8.3555 8.7505 8.7505 10.0450 10.0450 10.3330 10.3330 k =-0.3409 0.5865-0.0000 ( 3630 PWs) bands (ev): -27.5722 -27.5722 -27.5574 -27.5574 -10.4397 -10.4397 -10.4012 -10.4012 -9.3810 -9.3810 -9.3273 -9.3273 -9.2130 -9.2130 -9.1501 -9.1501 -1.4058 -1.4058 2.7466 2.7466 4.6776 4.6776 5.8761 5.8761 6.7899 6.7899 7.2162 7.2162 8.4078 8.4078 8.8215 8.8215 10.0039 10.0039 10.3063 10.3063 k =-0.3333 0.6043-0.0000 ( 3630 PWs) bands (ev): -27.5727 -27.5727 -27.5569 -27.5569 -10.4418 -10.4418 -10.4008 -10.4008 -9.3829 -9.3829 -9.3283 -9.3283 -9.2142 -9.2142 -9.1481 -9.1481 -1.3950 -1.3950 2.7877 2.7877 4.6140 4.6140 5.8678 5.8678 6.7872 6.7872 7.1246 7.1246 8.4608 8.4608 8.8933 8.8933 9.9655 9.9655 10.2803 10.2803 k =-0.3257 0.6221-0.0000 ( 3634 PWs) bands (ev): -27.5731 -27.5731 -27.5563 -27.5563 -10.4439 -10.4439 -10.4002 -10.4002 -9.3848 -9.3848 -9.3292 -9.3292 -9.2154 -9.2154 -9.1460 -9.1460 -1.3849 -1.3849 2.8286 2.8286 4.5532 4.5532 5.8602 5.8602 6.7851 6.7851 7.0377 7.0377 8.5141 8.5141 8.9657 8.9657 9.9300 9.9300 10.2556 10.2556 k =-0.3181 0.6399-0.0000 ( 3634 PWs) bands (ev): -27.5735 -27.5735 -27.5558 -27.5558 -10.4460 -10.4460 -10.3995 -10.3995 -9.3867 -9.3867 -9.3300 -9.3300 -9.2167 -9.2167 -9.1439 -9.1439 -1.3756 -1.3756 2.8688 2.8688 4.4952 4.4952 5.8534 5.8534 6.7835 6.7835 6.9560 6.9560 8.5668 8.5668 9.0388 9.0388 9.8974 9.8974 10.2328 10.2328 k =-0.3105 0.6577-0.0000 ( 3638 PWs) bands (ev): -27.5740 -27.5740 -27.5553 -27.5553 -10.4481 -10.4481 -10.3987 -10.3987 -9.3885 -9.3885 -9.3307 -9.3307 -9.2179 -9.2179 -9.1418 -9.1418 -1.3674 -1.3674 2.9080 2.9080 4.4403 4.4403 5.8476 5.8476 6.7824 6.7824 6.8798 6.8798 8.6183 8.6183 9.1125 9.1125 9.8678 9.8678 10.2125 10.2125 k =-0.3030 0.6755-0.0000 ( 3634 PWs) bands (ev): -27.5745 -27.5745 -27.5547 -27.5547 -10.4502 -10.4502 -10.3977 -10.3977 -9.3904 -9.3904 -9.3311 -9.3311 -9.2191 -9.2191 -9.1397 -9.1397 -1.3602 -1.3602 2.9459 2.9459 4.3889 4.3889 5.8426 5.8426 6.7811 6.7811 6.8101 6.8101 8.6678 8.6678 9.1869 9.1869 9.8413 9.8413 10.1952 10.1952 k =-0.2954 0.6932-0.0000 ( 3632 PWs) bands (ev): -27.5750 -27.5750 -27.5542 -27.5542 -10.4523 -10.4523 -10.3966 -10.3966 -9.3922 -9.3922 -9.3314 -9.3314 -9.2204 -9.2204 -9.1375 -9.1375 -1.3543 -1.3543 2.9821 2.9821 4.3412 4.3412 5.8387 5.8387 6.7436 6.7436 6.7833 6.7833 8.7143 8.7143 9.2618 9.2618 9.8180 9.8180 10.1816 10.1816 k =-0.2954 0.6932-0.0000 ( 3632 PWs) bands (ev): -27.5750 -27.5750 -27.5542 -27.5542 -10.4523 -10.4523 -10.3966 -10.3966 -9.3922 -9.3922 -9.3314 -9.3314 -9.2204 -9.2204 -9.1375 -9.1375 -1.3543 -1.3543 2.9821 2.9821 4.3412 4.3412 5.8387 5.8387 6.7436 6.7436 6.7833 6.7833 8.7143 8.7143 9.2618 9.2618 9.8180 9.8180 10.1816 10.1816 k =-0.2954 0.6932 0.0195 ( 3634 PWs) bands (ev): -27.5749 -27.5749 -27.5541 -27.5541 -10.4524 -10.4524 -10.3966 -10.3966 -9.3924 -9.3924 -9.3313 -9.3313 -9.2206 -9.2206 -9.1377 -9.1377 -1.3531 -1.3531 2.9809 2.9809 4.3427 4.3427 5.8294 5.8294 6.7462 6.7462 6.7830 6.7830 8.7260 8.7260 9.2529 9.2529 9.8262 9.8262 10.1738 10.1738 k =-0.2954 0.6932 0.0390 ( 3632 PWs) bands (ev): -27.5749 -27.5749 -27.5541 -27.5541 -10.4524 -10.4524 -10.3968 -10.3968 -9.3927 -9.3927 -9.3311 -9.3311 -9.2211 -9.2211 -9.1382 -9.1382 -1.3496 -1.3496 2.9771 2.9771 4.3475 4.3475 5.8024 5.8024 6.7533 6.7533 6.7823 6.7823 8.7607 8.7607 9.2276 9.2276 9.8492 9.8492 10.1510 10.1510 k =-0.2954 0.6932 0.0585 ( 3635 PWs) bands (ev): -27.5747 -27.5747 -27.5541 -27.5541 -10.4525 -10.4525 -10.3972 -10.3972 -9.3933 -9.3933 -9.3308 -9.3308 -9.2219 -9.2219 -9.1391 -9.1391 -1.3437 -1.3437 2.9708 2.9708 4.3554 4.3554 5.7595 5.7595 6.7637 6.7637 6.7820 6.7820 8.8169 8.8169 9.1896 9.1896 9.8833 9.8833 10.1155 10.1155 k =-0.2954 0.6932 0.0780 ( 3630 PWs) bands (ev): -27.5745 -27.5745 -27.5540 -27.5540 -10.4527 -10.4527 -10.3977 -10.3977 -9.3941 -9.3941 -9.3303 -9.3303 -9.2231 -9.2231 -9.1402 -9.1402 -1.3355 -1.3355 2.9616 2.9616 4.3664 4.3664 5.7036 5.7036 6.7712 6.7712 6.7870 6.7870 8.8924 8.8924 9.1428 9.1428 9.9246 9.9246 10.0702 10.0702 k =-0.2954 0.6932 0.0975 ( 3630 PWs) bands (ev): -27.5743 -27.5743 -27.5539 -27.5539 -10.4528 -10.4528 -10.3983 -10.3983 -9.3951 -9.3951 -9.3297 -9.3297 -9.2246 -9.2246 -9.1417 -9.1417 -1.3250 -1.3250 2.9495 2.9495 4.3804 4.3804 5.6377 5.6377 6.7703 6.7703 6.8023 6.8023 8.9844 8.9844 9.0903 9.0903 9.9681 9.9681 10.0201 10.0201 k =-0.2954 0.6932 0.1170 ( 3638 PWs) bands (ev): -27.5740 -27.5740 -27.5538 -27.5538 -10.4531 -10.4531 -10.3991 -10.3991 -9.3963 -9.3963 -9.3291 -9.3291 -9.2264 -9.2264 -9.1435 -9.1435 -1.3121 -1.3121 2.9341 2.9341 4.3975 4.3975 5.5648 5.5648 6.7661 6.7661 6.8217 6.8217 9.0341 9.0341 9.0898 9.0898 9.9558 9.9558 10.0239 10.0239 k =-0.2954 0.6932 0.1365 ( 3639 PWs) bands (ev): -27.5737 -27.5737 -27.5537 -27.5537 -10.4533 -10.4533 -10.4000 -10.4000 -9.3977 -9.3977 -9.3283 -9.3283 -9.2285 -9.2285 -9.1455 -9.1455 -1.2969 -1.2969 2.9150 2.9150 4.4176 4.4176 5.4876 5.4876 6.7603 6.7603 6.8432 6.8432 8.9768 8.9768 9.2033 9.2033 9.9005 9.9005 10.0709 10.0709 k =-0.2954 0.6932 0.1560 ( 3645 PWs) bands (ev): -27.5733 -27.5733 -27.5536 -27.5536 -10.4537 -10.4537 -10.4011 -10.4011 -9.3992 -9.3992 -9.3276 -9.3276 -9.2309 -9.2309 -9.1478 -9.1478 -1.2793 -1.2793 2.8920 2.8920 4.4405 4.4405 5.4086 5.4086 6.7528 6.7528 6.8662 6.8662 8.9189 8.9189 9.3183 9.3183 9.8497 9.8497 10.1187 10.1187 k =-0.2954 0.6932 0.1755 ( 3645 PWs) bands (ev): -27.5729 -27.5729 -27.5535 -27.5535 -10.4540 -10.4540 -10.4023 -10.4023 -9.4008 -9.4008 -9.3268 -9.3268 -9.2334 -9.2334 -9.1503 -9.1503 -1.2594 -1.2594 2.8645 2.8645 4.4663 4.4663 5.3296 5.3296 6.7437 6.7437 6.8904 6.8904 8.8618 8.8618 9.4194 9.4194 9.8188 9.8188 10.1649 10.1649 k =-0.2954 0.6932 0.1950 ( 3641 PWs) bands (ev): -27.5725 -27.5725 -27.5533 -27.5533 -10.4544 -10.4544 -10.4036 -10.4036 -9.4026 -9.4026 -9.3260 -9.3260 -9.2362 -9.2362 -9.1530 -9.1530 -1.2371 -1.2371 2.8323 2.8323 4.4947 4.4947 5.2527 5.2527 6.7326 6.7326 6.9153 6.9153 8.8061 8.8061 9.4761 9.4761 9.8372 9.8372 10.2086 10.2086 k =-0.2954 0.6932 0.2145 ( 3637 PWs) bands (ev): -27.5720 -27.5720 -27.5532 -27.5532 -10.4549 -10.4549 -10.4051 -10.4051 -9.4044 -9.4044 -9.3252 -9.3252 -9.2392 -9.2392 -9.1559 -9.1559 -1.2126 -1.2126 2.7949 2.7949 4.5258 4.5258 5.1792 5.1792 6.7195 6.7195 6.9408 6.9408 8.7527 8.7527 9.4710 9.4710 9.9208 9.9208 10.2490 10.2490 k =-0.2954 0.6932 0.2340 ( 3639 PWs) bands (ev): -27.5714 -27.5714 -27.5530 -27.5530 -10.4553 -10.4553 -10.4067 -10.4067 -9.4064 -9.4064 -9.3246 -9.3246 -9.2423 -9.2423 -9.1588 -9.1588 -1.1857 -1.1857 2.7520 2.7520 4.5593 4.5593 5.1103 5.1103 6.7042 6.7042 6.9664 6.9664 8.7021 8.7021 9.4288 9.4288 10.0430 10.0430 10.2855 10.2855 k =-0.2954 0.6932 0.2535 ( 3643 PWs) bands (ev): -27.5709 -27.5709 -27.5528 -27.5528 -10.4559 -10.4559 -10.4084 -10.4084 -9.4084 -9.4084 -9.3240 -9.3240 -9.2456 -9.2456 -9.1619 -9.1619 -1.1564 -1.1564 2.7034 2.7034 4.5952 4.5952 5.0471 5.0471 6.6864 6.6864 6.9919 6.9919 8.6549 8.6549 9.3724 9.3724 10.1790 10.1790 10.3179 10.3179 k =-0.2954 0.6932 0.2730 ( 3645 PWs) bands (ev): -27.5703 -27.5703 -27.5527 -27.5527 -10.4565 -10.4565 -10.4102 -10.4102 -9.4104 -9.4104 -9.3235 -9.3235 -9.2489 -9.2489 -9.1650 -9.1650 -1.1248 -1.1248 2.6490 2.6490 4.6333 4.6333 4.9902 4.9902 6.6660 6.6660 7.0166 7.0166 8.6115 8.6115 9.3113 9.3113 10.3154 10.3154 10.3473 10.3473 k =-0.2954 0.6932 0.2925 ( 3649 PWs) bands (ev): -27.5696 -27.5696 -27.5525 -27.5525 -10.4571 -10.4571 -10.4121 -10.4121 -9.4125 -9.4125 -9.3232 -9.3232 -9.2522 -9.2522 -9.1681 -9.1681 -1.0909 -1.0909 2.5888 2.5888 4.6734 4.6734 4.9402 4.9402 6.6430 6.6430 7.0401 7.0401 8.5723 8.5723 9.2492 9.2492 10.3680 10.3680 10.4514 10.4514 k =-0.2954 0.6932 0.3120 ( 3643 PWs) bands (ev): -27.5690 -27.5690 -27.5523 -27.5523 -10.4577 -10.4577 -10.4141 -10.4141 -9.4145 -9.4145 -9.3231 -9.3231 -9.2554 -9.2554 -9.1712 -9.1712 -1.0547 -1.0547 2.5228 2.5228 4.7153 4.7153 4.8974 4.8974 6.6173 6.6173 7.0619 7.0619 8.5376 8.5376 9.1884 9.1884 10.3881 10.3881 10.5740 10.5740 k =-0.2954 0.6932 0.3315 ( 3645 PWs) bands (ev): -27.5683 -27.5683 -27.5522 -27.5522 -10.4584 -10.4584 -10.4163 -10.4163 -9.4166 -9.4166 -9.3232 -9.3232 -9.2586 -9.2586 -9.1743 -9.1743 -1.0162 -1.0162 2.4514 2.4514 4.7586 4.7586 4.8620 4.8620 6.5890 6.5890 7.0813 7.0813 8.5074 8.5074 9.1300 9.1300 10.4045 10.4045 10.6827 10.6827 k =-0.2954 0.6932 0.3510 ( 3645 PWs) bands (ev): -27.5676 -27.5676 -27.5520 -27.5520 -10.4591 -10.4591 -10.4185 -10.4185 -9.4186 -9.4186 -9.3236 -9.3236 -9.2617 -9.2617 -9.1773 -9.1773 -0.9753 -0.9753 2.3750 2.3750 4.8013 4.8013 4.8357 4.8357 6.5582 6.5582 7.0975 7.0975 8.4820 8.4820 9.0749 9.0749 10.4182 10.4182 10.7742 10.7742 k =-0.2954 0.6932 0.3705 ( 3644 PWs) bands (ev): -27.5669 -27.5669 -27.5518 -27.5518 -10.4598 -10.4598 -10.4208 -10.4208 -9.4205 -9.4205 -9.3243 -9.3243 -9.2646 -9.2646 -9.1802 -9.1802 -0.9322 -0.9322 2.2939 2.2939 4.8074 4.8074 4.8542 4.8542 6.5250 6.5250 7.1101 7.1101 8.4614 8.4614 9.0238 9.0238 10.4298 10.4298 10.8475 10.8475 k =-0.2954 0.6932 0.3900 ( 3654 PWs) bands (ev): -27.5661 -27.5661 -27.5517 -27.5517 -10.4606 -10.4606 -10.4231 -10.4231 -9.4225 -9.4225 -9.3252 -9.3252 -9.2672 -9.2672 -9.1830 -9.1830 -0.8867 -0.8867 2.2087 2.2087 4.7933 4.7933 4.9002 4.9002 6.4899 6.4899 7.1183 7.1183 8.4454 8.4454 8.9772 8.9772 10.4400 10.4400 10.9035 10.9035 k =-0.2954 0.6932 0.4095 ( 3650 PWs) bands (ev): -27.5654 -27.5654 -27.5516 -27.5516 -10.4613 -10.4613 -10.4255 -10.4255 -9.4243 -9.4243 -9.3265 -9.3265 -9.2697 -9.2697 -9.1857 -9.1857 -0.8389 -0.8389 2.1200 2.1200 4.7841 4.7841 4.9480 4.9480 6.4532 6.4532 7.1215 7.1215 8.4338 8.4338 8.9356 8.9356 10.4494 10.4494 10.9446 10.9446 k =-0.2954 0.6932 0.4290 ( 3656 PWs) bands (ev): -27.5646 -27.5646 -27.5515 -27.5515 -10.4621 -10.4621 -10.4280 -10.4280 -9.4261 -9.4261 -9.3281 -9.3281 -9.2718 -9.2718 -9.1882 -9.1882 -0.7889 -0.7889 2.0283 2.0283 4.7804 4.7804 4.9963 4.9963 6.4155 6.4155 7.1193 7.1193 8.4265 8.4265 8.8990 8.8990 10.4585 10.4585 10.9740 10.9740 k =-0.2954 0.6932 0.4485 ( 3660 PWs) bands (ev): -27.5639 -27.5639 -27.5514 -27.5514 -10.4628 -10.4628 -10.4305 -10.4305 -9.4277 -9.4277 -9.3299 -9.3299 -9.2738 -9.2738 -9.1905 -9.1905 -0.7365 -0.7365 1.9342 1.9342 4.7817 4.7817 5.0446 5.0446 6.3772 6.3772 7.1113 7.1113 8.4233 8.4233 8.8675 8.8675 10.4679 10.4679 10.9947 10.9947 k =-0.2954 0.6932 0.4680 ( 3656 PWs) bands (ev): -27.5631 -27.5631 -27.5513 -27.5513 -10.4635 -10.4635 -10.4330 -10.4330 -9.4293 -9.4293 -9.3320 -9.3320 -9.2755 -9.2755 -9.1927 -9.1927 -0.6819 -0.6819 1.8381 1.8381 4.7877 4.7877 5.0922 5.0922 6.3392 6.3392 7.0973 7.0973 8.4237 8.4237 8.8409 8.8409 10.4779 10.4779 11.0096 11.0096 k =-0.2954 0.6932 0.4875 ( 3660 PWs) bands (ev): -27.5624 -27.5624 -27.5512 -27.5512 -10.4642 -10.4642 -10.4355 -10.4355 -9.4308 -9.4308 -9.3343 -9.3343 -9.2769 -9.2769 -9.1947 -9.1947 -0.6250 -0.6250 1.7406 1.7406 4.7980 4.7980 5.1385 5.1385 6.3022 6.3022 7.0774 7.0774 8.4274 8.4274 8.8188 8.8188 10.4890 10.4890 11.0208 11.0208 k =-0.2954 0.6932 0.5070 ( 3660 PWs) bands (ev): -27.5616 -27.5616 -27.5512 -27.5512 -10.4648 -10.4648 -10.4380 -10.4380 -9.4321 -9.4321 -9.3367 -9.3367 -9.2782 -9.2782 -9.1965 -9.1965 -0.5658 -0.5658 1.6420 1.6420 4.8121 4.8121 5.1827 5.1827 6.2672 6.2672 7.0517 7.0517 8.4342 8.4342 8.8008 8.8008 10.5014 10.5014 11.0299 11.0299 k =-0.2954 0.6932 0.5265 ( 3663 PWs) bands (ev): -27.5609 -27.5609 -27.5512 -27.5512 -10.4654 -10.4654 -10.4404 -10.4404 -9.4333 -9.4333 -9.3392 -9.3392 -9.2793 -9.2793 -9.1981 -9.1981 -0.5045 -0.5045 1.5428 1.5428 4.8298 4.8298 5.2239 5.2239 6.2354 6.2354 7.0206 7.0206 8.4436 8.4436 8.7861 8.7861 10.5154 10.5154 11.0377 11.0377 k =-0.2954 0.6932 0.5460 ( 3663 PWs) bands (ev): -27.5602 -27.5602 -27.5512 -27.5512 -10.4658 -10.4658 -10.4428 -10.4428 -9.4344 -9.4344 -9.3417 -9.3417 -9.2803 -9.2803 -9.1996 -9.1996 -0.4408 -0.4408 1.4433 1.4433 4.8507 4.8507 5.2608 5.2608 6.2081 6.2081 6.9845 6.9845 8.4554 8.4554 8.7740 8.7740 10.5314 10.5314 11.0447 11.0447 k =-0.2954 0.6932 0.5655 ( 3670 PWs) bands (ev): -27.5595 -27.5595 -27.5513 -27.5513 -10.4663 -10.4663 -10.4451 -10.4451 -9.4354 -9.4354 -9.3442 -9.3442 -9.2811 -9.2811 -9.2008 -9.2008 -0.3750 -0.3750 1.3439 1.3439 4.8744 4.8744 5.2923 5.2923 6.1867 6.1867 6.9440 6.9440 8.4691 8.4691 8.7637 8.7637 10.5493 10.5493 11.0503 11.0503 k =-0.2954 0.6932 0.5850 ( 3674 PWs) bands (ev): -27.5588 -27.5588 -27.5514 -27.5514 -10.4666 -10.4666 -10.4474 -10.4474 -9.4363 -9.4363 -9.3466 -9.3466 -9.2819 -9.2819 -9.2019 -9.2019 -0.3070 -0.3070 1.2448 1.2448 4.9006 4.9006 5.3169 5.3169 6.1726 6.1726 6.8996 6.8996 8.4845 8.4845 8.7546 8.7546 10.5695 10.5695 11.0536 11.0536 k =-0.2954 0.6932 0.6045 ( 3669 PWs) bands (ev): -27.5581 -27.5581 -27.5515 -27.5515 -10.4668 -10.4668 -10.4496 -10.4496 -9.4370 -9.4370 -9.3488 -9.3488 -9.2825 -9.2825 -9.2029 -9.2029 -0.2368 -0.2368 1.1462 1.1462 4.9291 4.9291 5.3335 5.3335 6.1673 6.1673 6.8518 6.8518 8.5012 8.5012 8.7459 8.7459 10.5919 10.5919 11.0532 11.0532 k =-0.2954 0.6932 0.6240 ( 3671 PWs) bands (ev): -27.5575 -27.5575 -27.5517 -27.5517 -10.4669 -10.4669 -10.4517 -10.4517 -9.4376 -9.4376 -9.3509 -9.3509 -9.2831 -9.2831 -9.2037 -9.2037 -0.1645 -0.1645 1.0484 1.0484 4.9595 4.9595 5.3413 5.3413 6.1714 6.1714 6.8014 6.8014 8.5189 8.5189 8.7371 8.7371 10.6167 10.6167 11.0473 11.0473 k =-0.2954 0.6932 0.6435 ( 3669 PWs) bands (ev): -27.5568 -27.5568 -27.5518 -27.5518 -10.4669 -10.4669 -10.4536 -10.4536 -9.4382 -9.4382 -9.3528 -9.3528 -9.2836 -9.2836 -9.2043 -9.2043 -0.0900 -0.0900 0.9516 0.9516 4.9916 4.9916 5.3402 5.3402 6.1853 6.1853 6.7488 6.7488 8.5373 8.5373 8.7278 8.7278 10.6439 10.6439 11.0345 11.0345 k =-0.2954 0.6932 0.6630 ( 3671 PWs) bands (ev): -27.5562 -27.5562 -27.5521 -27.5521 -10.4668 -10.4668 -10.4554 -10.4554 -9.4386 -9.4386 -9.3544 -9.3544 -9.2840 -9.2840 -9.2049 -9.2049 -0.0135 -0.0135 0.8560 0.8560 5.0251 5.0251 5.3308 5.3308 6.2083 6.2083 6.6947 6.6947 8.5561 8.5561 8.7176 8.7176 10.6733 10.6733 11.0147 11.0147 k =-0.2954 0.6932 0.6825 ( 3667 PWs) bands (ev): -27.5557 -27.5557 -27.5523 -27.5523 -10.4665 -10.4665 -10.4570 -10.4570 -9.4390 -9.4390 -9.3558 -9.3558 -9.2844 -9.2844 -9.2053 -9.2053 0.0651 0.0651 0.7616 0.7616 5.0595 5.0595 5.3141 5.3141 6.2395 6.2395 6.6396 6.6396 8.5751 8.5751 8.7063 8.7063 10.7049 10.7049 10.9884 10.9884 k =-0.2954 0.6932 0.7020 ( 3663 PWs) bands (ev): -27.5551 -27.5551 -27.5526 -27.5526 -10.4662 -10.4662 -10.4585 -10.4585 -9.4392 -9.4392 -9.3569 -9.3569 -9.2847 -9.2847 -9.2056 -9.2056 0.1457 0.1457 0.6686 0.6686 5.0947 5.0947 5.2914 5.2914 6.2775 6.2775 6.5841 6.5841 8.5938 8.5938 8.6938 8.6938 10.7385 10.7385 10.9571 10.9571 k =-0.2954 0.6932 0.7215 ( 3660 PWs) bands (ev): -27.5546 -27.5546 -27.5529 -27.5529 -10.4658 -10.4658 -10.4597 -10.4597 -9.4394 -9.4394 -9.3577 -9.3577 -9.2849 -9.2849 -9.2058 -9.2058 0.2282 0.2282 0.5772 0.5772 5.1301 5.1301 5.2643 5.2643 6.3210 6.3210 6.5288 6.5288 8.6121 8.6121 8.6803 8.6803 10.7738 10.7738 10.9223 10.9223 k =-0.2954 0.6932 0.7410 ( 3660 PWs) bands (ev): -27.5542 -27.5542 -27.5533 -27.5533 -10.4654 -10.4654 -10.4605 -10.4605 -9.4395 -9.4395 -9.3582 -9.3582 -9.2850 -9.2850 -9.2060 -9.2060 0.3126 0.3126 0.4875 0.4875 5.1650 5.1650 5.2339 5.2339 6.3684 6.3684 6.4745 6.4745 8.6293 8.6293 8.6660 8.6660 10.8104 10.8104 10.8856 10.8856 k =-0.2954 0.6932 0.7605 ( 3662 PWs) bands (ev): -27.5537 -27.5537 -27.5537 -27.5537 -10.4652 -10.4652 -10.4608 -10.4608 -9.4395 -9.4395 -9.3583 -9.3583 -9.2850 -9.2850 -9.2060 -9.2060 0.3925 0.3925 0.4057 0.4057 5.1935 5.1935 5.2069 5.2069 6.4109 6.4109 6.4298 6.4298 8.6404 8.6404 8.6558 8.6558 10.8457 10.8457 10.8503 10.8503 k =-0.2954 0.6932 0.7605 ( 3662 PWs) bands (ev): -27.5537 -27.5537 -27.5537 -27.5537 -10.4652 -10.4652 -10.4608 -10.4608 -9.4395 -9.4395 -9.3583 -9.3583 -9.2850 -9.2850 -9.2060 -9.2060 0.3925 0.3925 0.4057 0.4057 5.1935 5.1935 5.2069 5.2069 6.4109 6.4109 6.4298 6.4298 8.6404 8.6404 8.6558 8.6558 10.8456 10.8457 10.8503 10.8503 k =-0.3030 0.6755 0.7605 ( 3666 PWs) bands (ev): -27.5537 -27.5537 -27.5537 -27.5537 -10.4654 -10.4654 -10.4611 -10.4611 -9.4404 -9.4404 -9.3606 -9.3606 -9.2819 -9.2819 -9.2040 -9.2040 0.3967 0.3967 0.4105 0.4105 5.1683 5.1683 5.1811 5.1811 6.4266 6.4266 6.4461 6.4461 8.6557 8.6557 8.6699 8.6699 10.7597 10.7597 10.7631 10.7631 k =-0.3105 0.6577 0.7605 ( 3666 PWs) bands (ev): -27.5538 -27.5538 -27.5538 -27.5538 -10.4655 -10.4655 -10.4614 -10.4614 -9.4411 -9.4411 -9.3628 -9.3628 -9.2786 -9.2786 -9.2020 -9.2020 0.4009 0.4009 0.4152 0.4152 5.1436 5.1436 5.1560 5.1560 6.4425 6.4425 6.4625 6.4625 8.6729 8.6729 8.6859 8.6859 10.6692 10.6692 10.6718 10.6718 k =-0.3181 0.6399 0.7605 ( 3670 PWs) bands (ev): -27.5538 -27.5538 -27.5538 -27.5538 -10.4655 -10.4655 -10.4617 -10.4617 -9.4417 -9.4417 -9.3651 -9.3651 -9.2753 -9.2753 -9.2001 -9.2001 0.4050 0.4050 0.4197 0.4197 5.1196 5.1196 5.1316 5.1316 6.4586 6.4586 6.4788 6.4788 8.6922 8.6922 8.7041 8.7041 10.5763 10.5763 10.5783 10.5783 k =-0.3257 0.6221 0.7605 ( 3670 PWs) bands (ev): -27.5539 -27.5539 -27.5539 -27.5539 -10.4656 -10.4656 -10.4619 -10.4619 -9.4420 -9.4420 -9.3675 -9.3675 -9.2718 -9.2718 -9.1983 -9.1983 0.4090 0.4090 0.4241 0.4241 5.0965 5.0965 5.1081 5.1081 6.4748 6.4748 6.4951 6.4951 8.7139 8.7139 8.7248 8.7248 10.4823 10.4823 10.4838 10.4838 k =-0.3333 0.6043 0.7605 ( 3664 PWs) bands (ev): -27.5539 -27.5539 -27.5539 -27.5539 -10.4656 -10.4656 -10.4621 -10.4621 -9.4423 -9.4423 -9.3698 -9.3698 -9.2683 -9.2683 -9.1966 -9.1966 0.4129 0.4129 0.4282 0.4282 5.0744 5.0744 5.0856 5.0856 6.4908 6.4908 6.5111 6.5111 8.7383 8.7383 8.7483 8.7483 10.3879 10.3879 10.3890 10.3890 k =-0.3409 0.5865 0.7605 ( 3664 PWs) bands (ev): -27.5539 -27.5539 -27.5539 -27.5539 -10.4657 -10.4657 -10.4623 -10.4623 -9.4424 -9.4424 -9.3721 -9.3721 -9.2647 -9.2647 -9.1950 -9.1950 0.4167 0.4167 0.4322 0.4322 5.0534 5.0534 5.0643 5.0643 6.5067 6.5067 6.5268 6.5268 8.7657 8.7657 8.7749 8.7749 10.2939 10.2939 10.2946 10.2946 k =-0.3484 0.5687 0.7605 ( 3672 PWs) bands (ev): -27.5540 -27.5540 -27.5540 -27.5540 -10.4657 -10.4657 -10.4625 -10.4625 -9.4423 -9.4423 -9.3744 -9.3744 -9.2610 -9.2610 -9.1935 -9.1935 0.4202 0.4202 0.4359 0.4359 5.0335 5.0335 5.0442 5.0442 6.5223 6.5223 6.5422 6.5422 8.7962 8.7962 8.8047 8.8047 10.2006 10.2006 10.2011 10.2011 k =-0.3560 0.5510 0.7605 ( 3676 PWs) bands (ev): -27.5540 -27.5540 -27.5540 -27.5540 -10.4656 -10.4656 -10.4627 -10.4627 -9.4421 -9.4421 -9.3767 -9.3767 -9.2573 -9.2573 -9.1921 -9.1921 0.4236 0.4236 0.4393 0.4393 5.0150 5.0150 5.0254 5.0254 6.5376 6.5376 6.5572 6.5572 8.8301 8.8301 8.8379 8.8379 10.1086 10.1086 10.1088 10.1088 k =-0.3636 0.5332 0.7605 ( 3692 PWs) bands (ev): -27.5541 -27.5541 -27.5541 -27.5541 -10.4656 -10.4656 -10.4629 -10.4629 -9.4418 -9.4418 -9.3790 -9.3790 -9.2536 -9.2536 -9.1908 -9.1908 0.4268 0.4268 0.4424 0.4424 4.9977 4.9977 5.0078 5.0078 6.5526 6.5526 6.5717 6.5717 8.8676 8.8676 8.8748 8.8748 10.0181 10.0181 10.0182 10.0182 k =-0.3712 0.5154 0.7605 ( 3684 PWs) bands (ev): -27.5541 -27.5541 -27.5541 -27.5541 -10.4656 -10.4656 -10.4630 -10.4630 -9.4413 -9.4413 -9.3813 -9.3813 -9.2498 -9.2498 -9.1897 -9.1897 0.4299 0.4299 0.4452 0.4452 4.9818 4.9818 4.9916 4.9916 6.5672 6.5672 6.5857 6.5857 8.9087 8.9087 8.9154 8.9154 9.9295 9.9295 9.9296 9.9296 k =-0.3787 0.4976 0.7605 ( 3684 PWs) bands (ev): -27.5542 -27.5542 -27.5542 -27.5542 -10.4656 -10.4656 -10.4631 -10.4631 -9.4407 -9.4407 -9.3836 -9.3836 -9.2460 -9.2460 -9.1887 -9.1887 0.4327 0.4327 0.4478 0.4478 4.9673 4.9673 4.9768 4.9768 6.5814 6.5814 6.5993 6.5993 8.9535 8.9535 8.9598 8.9598 9.8431 9.8431 9.8433 9.8433 k =-0.3863 0.4798 0.7605 ( 3680 PWs) bands (ev): -27.5542 -27.5542 -27.5542 -27.5542 -10.4655 -10.4655 -10.4633 -10.4633 -9.4399 -9.4399 -9.3858 -9.3858 -9.2423 -9.2423 -9.1878 -9.1878 0.4352 0.4352 0.4500 0.4500 4.9541 4.9541 4.9633 4.9633 6.5952 6.5952 6.6123 6.6123 9.0022 9.0022 9.0082 9.0082 9.7594 9.7594 9.7598 9.7598 k =-0.3939 0.4620 0.7605 ( 3680 PWs) bands (ev): -27.5543 -27.5543 -27.5543 -27.5543 -10.4655 -10.4655 -10.4634 -10.4634 -9.4390 -9.4390 -9.3881 -9.3881 -9.2386 -9.2386 -9.1871 -9.1871 0.4376 0.4376 0.4519 0.4519 4.9423 4.9423 4.9511 4.9511 6.6085 6.6085 6.6248 6.6248 9.0547 9.0547 9.0605 9.0605 9.6786 9.6786 9.6792 9.6792 k =-0.4015 0.4443 0.7605 ( 3684 PWs) bands (ev): -27.5543 -27.5543 -27.5543 -27.5543 -10.4654 -10.4654 -10.4635 -10.4635 -9.4381 -9.4381 -9.3903 -9.3903 -9.2349 -9.2349 -9.1866 -9.1866 0.4398 0.4398 0.4535 0.4535 4.9318 4.9318 4.9402 4.9402 6.6213 6.6213 6.6367 6.6367 9.1110 9.1110 9.1167 9.1167 9.6012 9.6012 9.6021 9.6021 k =-0.4091 0.4265 0.7605 ( 3680 PWs) bands (ev): -27.5544 -27.5544 -27.5544 -27.5544 -10.4654 -10.4654 -10.4636 -10.4636 -9.4370 -9.4370 -9.3925 -9.3925 -9.2313 -9.2313 -9.1862 -9.1862 0.4418 0.4418 0.4548 0.4548 4.9225 4.9225 4.9305 4.9305 6.6336 6.6336 6.6481 6.6481 9.1711 9.1711 9.1769 9.1769 9.5275 9.5275 9.5289 9.5289 k =-0.4166 0.4087 0.7605 ( 3676 PWs) bands (ev): -27.5544 -27.5544 -27.5544 -27.5544 -10.4653 -10.4653 -10.4637 -10.4637 -9.4358 -9.4358 -9.3947 -9.3947 -9.2277 -9.2277 -9.1860 -9.1860 0.4436 0.4436 0.4559 0.4559 4.9145 4.9145 4.9220 4.9220 6.6454 6.6454 6.6588 6.6588 9.2344 9.2344 9.2411 9.2411 9.4579 9.4579 9.4603 9.4603 k =-0.4242 0.3909 0.7605 ( 3660 PWs) bands (ev): -27.5545 -27.5545 -27.5545 -27.5545 -10.4653 -10.4653 -10.4638 -10.4638 -9.4345 -9.4345 -9.3969 -9.3969 -9.2243 -9.2243 -9.1860 -9.1860 0.4452 0.4452 0.4567 0.4567 4.9075 4.9075 4.9145 4.9145 6.6566 6.6566 6.6690 6.6690 9.2986 9.2986 9.3088 9.3088 9.3930 9.3930 9.3991 9.3991 k =-0.4318 0.3731 0.7605 ( 3656 PWs) bands (ev): -27.5545 -27.5545 -27.5545 -27.5545 -10.4652 -10.4652 -10.4639 -10.4639 -9.4331 -9.4331 -9.3991 -9.3991 -9.2209 -9.2209 -9.1862 -9.1862 0.4467 0.4467 0.4573 0.4573 4.9016 4.9016 4.9081 4.9081 6.6672 6.6672 6.6784 6.6784 9.3200 9.3200 9.3305 9.3305 9.3828 9.3828 9.3894 9.3894 k =-0.4394 0.3553 0.7605 ( 3658 PWs) bands (ev): -27.5546 -27.5546 -27.5546 -27.5546 -10.4651 -10.4651 -10.4640 -10.4640 -9.4316 -9.4316 -9.4012 -9.4012 -9.2176 -9.2176 -9.1866 -9.1866 0.4480 0.4480 0.4576 0.4576 4.8967 4.8967 4.9025 4.9025 6.6770 6.6770 6.6872 6.6872 9.2724 9.2724 9.2759 9.2759 9.4575 9.4575 9.4577 9.4577 k =-0.4470 0.3375 0.7605 ( 3658 PWs) bands (ev): -27.5546 -27.5546 -27.5546 -27.5546 -10.4651 -10.4651 -10.4641 -10.4641 -9.4301 -9.4301 -9.4033 -9.4033 -9.2144 -9.2144 -9.1871 -9.1871 0.4493 0.4493 0.4578 0.4578 4.8926 4.8926 4.8979 4.8979 6.6861 6.6861 6.6951 6.6951 9.2240 9.2240 9.2261 9.2261 9.5354 9.5354 9.5369 9.5369 k =-0.4545 0.3198 0.7605 ( 3662 PWs) bands (ev): -27.5546 -27.5546 -27.5546 -27.5546 -10.4650 -10.4650 -10.4642 -10.4642 -9.4285 -9.4285 -9.4054 -9.4054 -9.2114 -9.2114 -9.1878 -9.1878 0.4504 0.4504 0.4578 0.4578 4.8894 4.8894 4.8939 4.8939 6.6943 6.6943 6.7021 6.7021 9.1806 9.1806 9.1821 9.1821 9.6177 9.6177 9.6198 9.6198 k =-0.4621 0.3020 0.7605 ( 3662 PWs) bands (ev): -27.5547 -27.5547 -27.5547 -27.5547 -10.4650 -10.4650 -10.4643 -10.4643 -9.4268 -9.4268 -9.4075 -9.4075 -9.2085 -9.2085 -9.1888 -9.1888 0.4514 0.4514 0.4577 0.4577 4.8868 4.8868 4.8907 4.8907 6.7016 6.7016 6.7081 6.7081 9.1430 9.1430 9.1441 9.1441 9.7034 9.7034 9.7058 9.7058 k =-0.4697 0.2842 0.7605 ( 3670 PWs) bands (ev): -27.5547 -27.5547 -27.5547 -27.5547 -10.4649 -10.4649 -10.4644 -10.4644 -9.4251 -9.4251 -9.4096 -9.4096 -9.2057 -9.2057 -9.1899 -9.1899 0.4523 0.4523 0.4574 0.4574 4.8850 4.8850 4.8881 4.8881 6.7079 6.7079 6.7131 6.7131 9.1117 9.1117 9.1126 9.1126 9.7920 9.7920 9.7946 9.7946 k =-0.4773 0.2664 0.7605 ( 3674 PWs) bands (ev): -27.5547 -27.5547 -27.5547 -27.5547 -10.4649 -10.4649 -10.4644 -10.4644 -9.4233 -9.4233 -9.4116 -9.4116 -9.2031 -9.2031 -9.1912 -9.1912 0.4532 0.4532 0.4570 0.4570 4.8836 4.8836 4.8860 4.8860 6.7130 6.7130 6.7169 6.7169 9.0872 9.0872 9.0878 9.0878 9.8825 9.8825 9.8853 9.8853 k =-0.4848 0.2486 0.7605 ( 3662 PWs) bands (ev): -27.5547 -27.5547 -27.5547 -27.5547 -10.4648 -10.4648 -10.4645 -10.4645 -9.4214 -9.4214 -9.4137 -9.4137 -9.2007 -9.2007 -9.1927 -9.1927 0.4540 0.4540 0.4565 0.4565 4.8829 4.8829 4.8844 4.8844 6.7169 6.7169 6.7195 6.7195 9.0694 9.0694 9.0698 9.0698 9.9727 9.9727 9.9755 9.9755 k =-0.4924 0.2308 0.7605 ( 3652 PWs) bands (ev): -27.5547 -27.5547 -27.5547 -27.5547 -10.4647 -10.4647 -10.4646 -10.4646 -9.4195 -9.4195 -9.4156 -9.4156 -9.1984 -9.1984 -9.1945 -9.1945 0.4547 0.4547 0.4560 0.4560 4.8826 4.8826 4.8834 4.8834 6.7195 6.7195 6.7208 6.7208 9.0588 9.0588 9.0590 9.0590 10.0549 10.0549 10.0573 10.0573 k =-0.5000 0.2130 0.7605 ( 3652 PWs) bands (ev): -27.5547 -27.5547 -27.5547 -27.5547 -10.4647 -10.4647 -10.4647 -10.4647 -9.4176 -9.4176 -9.4176 -9.4176 -9.1964 -9.1964 -9.1964 -9.1964 0.4554 0.4554 0.4554 0.4554 4.8827 4.8827 4.8827 4.8827 6.7208 6.7208 6.7208 6.7208 9.0553 9.0553 9.0553 9.0553 10.0979 10.0979 10.0979 10.0979 k =-0.5000 0.2130 0.7605 ( 3652 PWs) bands (ev): -27.5547 -27.5547 -27.5547 -27.5547 -10.4647 -10.4647 -10.4647 -10.4647 -9.4176 -9.4176 -9.4176 -9.4176 -9.1964 -9.1964 -9.1964 -9.1964 0.4554 0.4554 0.4554 0.4554 4.8827 4.8827 4.8827 4.8827 6.7208 6.7208 6.7208 6.7208 9.0553 9.0553 9.0553 9.0553 10.0979 10.0979 10.0979 10.0979 k =-0.5000 0.2130 0.7410 ( 3652 PWs) bands (ev): -27.5548 -27.5548 -27.5546 -27.5546 -10.4650 -10.4650 -10.4641 -10.4641 -9.4198 -9.4198 -9.4151 -9.4151 -9.1982 -9.1982 -9.1945 -9.1945 0.3572 0.3572 0.5554 0.5554 4.7919 4.7919 4.9753 4.9753 6.6752 6.6752 6.7683 6.7683 9.0048 9.0048 9.1040 9.1040 10.0559 10.0559 10.1453 10.1453 k =-0.5000 0.2130 0.7215 ( 3654 PWs) bands (ev): -27.5550 -27.5550 -27.5546 -27.5546 -10.4651 -10.4651 -10.4633 -10.4633 -9.4218 -9.4218 -9.4122 -9.4122 -9.2002 -9.2002 -9.1928 -9.1928 0.2608 0.2608 0.6570 0.6570 4.7030 4.7030 5.0694 5.0694 6.6314 6.6314 6.8175 6.8175 8.9528 8.9528 9.1508 9.1508 10.0192 10.0192 10.1955 10.1955 k =-0.5000 0.2130 0.7020 ( 3658 PWs) bands (ev): -27.5551 -27.5551 -27.5546 -27.5546 -10.4650 -10.4650 -10.4623 -10.4623 -9.4233 -9.4233 -9.4090 -9.4090 -9.2022 -9.2022 -9.1911 -9.1911 0.1665 0.1665 0.7601 0.7601 4.6164 4.6164 5.1646 5.1646 6.5892 6.5892 6.8688 6.8688 8.8993 8.8993 9.1957 9.1957 9.9873 9.9873 10.1440 10.1440 k =-0.5000 0.2130 0.6825 ( 3658 PWs) bands (ev): -27.5553 -27.5553 -27.5546 -27.5546 -10.4647 -10.4647 -10.4611 -10.4611 -9.4246 -9.4246 -9.4056 -9.4056 -9.2042 -9.2042 -9.1894 -9.1894 0.0742 0.0742 0.8645 0.8645 4.5324 4.5324 5.2609 5.2609 6.5487 6.5487 6.9220 6.9220 8.8450 8.8450 9.2389 9.2389 9.9601 9.9601 10.0932 10.0932 k =-0.5000 0.2130 0.6630 ( 3662 PWs) bands (ev): -27.5556 -27.5556 -27.5547 -27.5547 -10.4641 -10.4641 -10.4597 -10.4597 -9.4256 -9.4256 -9.4018 -9.4018 -9.2063 -9.2063 -9.1878 -9.1878 -0.0160 -0.0160 0.9700 0.9700 4.4511 4.4511 5.3578 5.3578 6.5097 6.5097 6.9773 6.9773 8.7900 8.7900 9.2805 9.2805 9.9368 9.9368 10.0458 10.0458 k =-0.5000 0.2130 0.6435 ( 3666 PWs) bands (ev): -27.5559 -27.5559 -27.5548 -27.5548 -10.4634 -10.4634 -10.4581 -10.4581 -9.4262 -9.4262 -9.3978 -9.3978 -9.2084 -9.2084 -9.1863 -9.1863 -0.1040 -0.1040 1.0764 1.0764 4.3731 4.3731 5.4550 5.4550 6.4721 6.4721 7.0347 7.0347 8.7348 8.7348 9.3208 9.3208 9.9171 9.9171 10.0020 10.0020 k =-0.5000 0.2130 0.6240 ( 3660 PWs) bands (ev): -27.5562 -27.5562 -27.5550 -27.5550 -10.4624 -10.4624 -10.4564 -10.4564 -9.4265 -9.4265 -9.3935 -9.3935 -9.2106 -9.2106 -9.1848 -9.1848 -0.1898 -0.1898 1.1833 1.1833 4.2986 4.2986 5.5524 5.5524 6.4361 6.4361 7.0943 7.0943 8.6799 8.6799 9.3601 9.3601 9.9001 9.9001 9.9616 9.9616 k =-0.5000 0.2130 0.6045 ( 3668 PWs) bands (ev): -27.5565 -27.5565 -27.5551 -27.5551 -10.4613 -10.4613 -10.4545 -10.4545 -9.4264 -9.4264 -9.3890 -9.3890 -9.2128 -9.2128 -9.1834 -9.1834 -0.2733 -0.2733 1.2904 1.2904 4.2282 4.2282 5.6494 5.6494 6.4014 6.4014 7.1561 7.1561 8.6256 8.6256 9.3985 9.3985 9.8854 9.8854 9.9249 9.9249 k =-0.5000 0.2130 0.5850 ( 3670 PWs) bands (ev): -27.5569 -27.5569 -27.5553 -27.5553 -10.4599 -10.4599 -10.4524 -10.4524 -9.4261 -9.4261 -9.3842 -9.3842 -9.2151 -9.2151 -9.1820 -9.1820 -0.3544 -0.3544 1.3971 1.3971 4.1622 4.1622 5.7458 5.7458 6.3680 6.3680 7.2201 7.2201 8.5723 8.5723 9.4362 9.4362 9.8721 9.8721 9.8920 9.8920 k =-0.5000 0.2130 0.5655 ( 3662 PWs) bands (ev): -27.5573 -27.5573 -27.5555 -27.5555 -10.4584 -10.4584 -10.4503 -10.4503 -9.4254 -9.4254 -9.3792 -9.3792 -9.2173 -9.2173 -9.1807 -9.1807 -0.4333 -0.4333 1.5030 1.5030 4.1015 4.1015 5.8410 5.8410 6.3359 6.3359 7.2864 7.2864 8.5204 8.5204 9.4735 9.4735 9.8579 9.8579 9.8647 9.8647 k =-0.5000 0.2130 0.5460 ( 3666 PWs) bands (ev): -27.5577 -27.5577 -27.5558 -27.5558 -10.4568 -10.4568 -10.4480 -10.4480 -9.4245 -9.4245 -9.3741 -9.3741 -9.2196 -9.2196 -9.1795 -9.1795 -0.5097 -0.5097 1.6072 1.6072 4.0466 4.0466 5.9346 5.9346 6.3051 6.3051 7.3551 7.3551 8.4701 8.4701 9.5103 9.5103 9.8349 9.8349 9.8504 9.8504 k =-0.5000 0.2130 0.5265 ( 3666 PWs) bands (ev): -27.5581 -27.5581 -27.5561 -27.5561 -10.4550 -10.4550 -10.4456 -10.4456 -9.4232 -9.4232 -9.3687 -9.3687 -9.2219 -9.2219 -9.1783 -9.1783 -0.5836 -0.5836 1.7091 1.7091 3.9985 3.9985 6.0260 6.0260 6.2757 6.2757 7.4261 7.4261 8.4218 8.4218 9.5466 9.5466 9.8126 9.8126 9.8391 9.8391 k =-0.5000 0.2130 0.5070 ( 3664 PWs) bands (ev): -27.5586 -27.5586 -27.5564 -27.5564 -10.4530 -10.4530 -10.4432 -10.4432 -9.4217 -9.4217 -9.3632 -9.3632 -9.2242 -9.2242 -9.1771 -9.1771 -0.6551 -0.6551 1.8075 1.8075 3.9583 3.9583 6.1142 6.1142 6.2480 6.2480 7.4994 7.4994 8.3757 8.3757 9.5824 9.5824 9.7936 9.7936 9.8282 9.8282 k =-0.5000 0.2130 0.4875 ( 3672 PWs) bands (ev): -27.5590 -27.5590 -27.5567 -27.5567 -10.4510 -10.4510 -10.4408 -10.4408 -9.4199 -9.4199 -9.3576 -9.3576 -9.2264 -9.2264 -9.1760 -9.1760 -0.7242 -0.7242 1.9013 1.9013 3.9271 3.9271 6.1912 6.1912 6.2294 6.2294 7.5752 7.5752 8.3319 8.3319 9.6172 9.6172 9.7780 9.7780 9.8176 9.8176 k =-0.5000 0.2130 0.4680 ( 3676 PWs) bands (ev): -27.5595 -27.5595 -27.5570 -27.5570 -10.4489 -10.4489 -10.4383 -10.4383 -9.4178 -9.4178 -9.3519 -9.3519 -9.2285 -9.2285 -9.1750 -9.1750 -0.7907 -0.7907 1.9890 1.9890 3.9064 3.9064 6.1884 6.1884 6.2881 6.2881 7.6533 7.6533 8.2905 8.2905 9.6506 9.6506 9.7659 9.7659 9.8076 9.8076 k =-0.5000 0.2130 0.4485 ( 3676 PWs) bands (ev): -27.5600 -27.5600 -27.5574 -27.5574 -10.4466 -10.4466 -10.4358 -10.4358 -9.4154 -9.4154 -9.3462 -9.3462 -9.2306 -9.2306 -9.1740 -9.1740 -0.8547 -0.8547 2.0693 2.0693 3.8977 3.8977 6.1645 6.1645 6.3645 6.3645 7.7339 7.7339 8.2517 8.2517 9.6816 9.6816 9.7574 9.7574 9.7986 9.7986 k =-0.5000 0.2130 0.4290 ( 3682 PWs) bands (ev): -27.5605 -27.5605 -27.5577 -27.5577 -10.4444 -10.4444 -10.4333 -10.4333 -9.4129 -9.4129 -9.3406 -9.3406 -9.2326 -9.2326 -9.1730 -9.1730 -0.9161 -0.9161 2.1406 2.1406 3.9024 3.9024 6.1404 6.1404 6.4370 6.4370 7.8168 7.8168 8.2154 8.2154 9.7082 9.7082 9.7531 9.7531 9.7917 9.7917 k =-0.5000 0.2130 0.4095 ( 3662 PWs) bands (ev): -27.5610 -27.5610 -27.5581 -27.5581 -10.4421 -10.4421 -10.4308 -10.4308 -9.4101 -9.4101 -9.3350 -9.3350 -9.2344 -9.2344 -9.1722 -9.1722 -0.9750 -0.9750 2.2017 2.2017 3.9217 3.9217 6.1172 6.1172 6.5043 6.5043 7.9021 7.9021 8.1814 8.1814 9.7264 9.7264 9.7554 9.7554 9.7879 9.7879 k =-0.5000 0.2130 0.3900 ( 3666 PWs) bands (ev): -27.5615 -27.5615 -27.5585 -27.5585 -10.4397 -10.4397 -10.4284 -10.4284 -9.4071 -9.4071 -9.3296 -9.3296 -9.2360 -9.2360 -9.1714 -9.1714 -1.0312 -1.0312 2.2518 2.2518 3.9566 3.9566 6.0948 6.0948 6.5657 6.5657 7.9897 7.9897 8.1497 8.1497 9.7340 9.7340 9.7633 9.7633 9.7886 9.7886 k =-0.5000 0.2130 0.3705 ( 3670 PWs) bands (ev): -27.5620 -27.5620 -27.5588 -27.5588 -10.4374 -10.4374 -10.4261 -10.4261 -9.4039 -9.4039 -9.3244 -9.3244 -9.2373 -9.2373 -9.1706 -9.1706 -1.0848 -1.0848 2.2906 2.2906 4.0071 4.0071 6.0734 6.0734 6.6208 6.6208 8.0797 8.0797 8.1198 8.1198 9.7370 9.7370 9.7671 9.7671 9.7944 9.7944 k =-0.5000 0.2130 0.3510 ( 3670 PWs) bands (ev): -27.5625 -27.5625 -27.5592 -27.5592 -10.4350 -10.4350 -10.4238 -10.4238 -9.4005 -9.4005 -9.3196 -9.3196 -9.2383 -9.2383 -9.1699 -9.1699 -1.1359 -1.1359 2.3184 2.3184 4.0730 4.0730 6.0529 6.0529 6.6695 6.6695 8.0915 8.0915 8.1719 8.1719 9.7351 9.7351 9.7614 9.7614 9.8063 9.8063 k =-0.5000 0.2130 0.3315 ( 3650 PWs) bands (ev): -27.5630 -27.5630 -27.5596 -27.5596 -10.4327 -10.4327 -10.4216 -10.4216 -9.3970 -9.3970 -9.3153 -9.3153 -9.2388 -9.2388 -9.1694 -9.1694 -1.1842 -1.1842 2.3363 2.3363 4.1531 4.1531 6.0335 6.0335 6.7116 6.7116 8.0643 8.0643 8.2663 8.2663 9.7079 9.7079 9.7593 9.7593 9.8258 9.8258 k =-0.5000 0.2130 0.3120 ( 3650 PWs) bands (ev): -27.5635 -27.5635 -27.5600 -27.5600 -10.4304 -10.4304 -10.4195 -10.4195 -9.3934 -9.3934 -9.3116 -9.3116 -9.2388 -9.2388 -9.1689 -9.1689 -1.2299 -1.2299 2.3456 2.3456 4.2461 4.2461 6.0150 6.0150 6.7474 6.7474 8.0380 8.0380 8.3628 8.3628 9.6464 9.6464 9.7656 9.7656 9.8538 9.8538 k =-0.5000 0.2130 0.2925 ( 3658 PWs) bands (ev): -27.5639 -27.5639 -27.5603 -27.5603 -10.4282 -10.4282 -10.4176 -10.4176 -9.3897 -9.3897 -9.3086 -9.3086 -9.2382 -9.2382 -9.1685 -9.1685 -1.2729 -1.2729 2.3478 2.3478 4.3502 4.3502 5.9975 5.9975 6.7771 6.7771 8.0123 8.0123 8.4614 8.4614 9.5573 9.5573 9.7751 9.7751 9.8908 9.8908 k =-0.5000 0.2130 0.2730 ( 3658 PWs) bands (ev): -27.5644 -27.5644 -27.5607 -27.5607 -10.4260 -10.4260 -10.4157 -10.4157 -9.3858 -9.3858 -9.3064 -9.3064 -9.2369 -9.2369 -9.1682 -9.1682 -1.3132 -1.3132 2.3445 2.3445 4.4638 4.4638 5.9811 5.9811 6.8012 6.8012 7.9868 7.9868 8.5618 8.5618 9.4470 9.4470 9.7865 9.7865 9.9368 9.9368 k =-0.5000 0.2130 0.2535 ( 3652 PWs) bands (ev): -27.5648 -27.5648 -27.5610 -27.5610 -10.4239 -10.4239 -10.4140 -10.4140 -9.3819 -9.3819 -9.3050 -9.3050 -9.2349 -9.2349 -9.1680 -9.1680 -1.3508 -1.3508 2.3371 2.3371 4.5853 4.5853 5.9657 5.9657 6.8203 6.8203 7.9616 7.9616 8.6639 8.6639 9.3212 9.3212 9.7991 9.7991 9.9915 9.9915 k =-0.5000 0.2130 0.2340 ( 3644 PWs) bands (ev): -27.5652 -27.5652 -27.5614 -27.5614 -10.4218 -10.4218 -10.4125 -10.4125 -9.3780 -9.3780 -9.3044 -9.3044 -9.2324 -9.2324 -9.1679 -9.1679 -1.3857 -1.3857 2.3267 2.3267 4.7131 4.7131 5.9513 5.9513 6.8351 6.8351 7.9367 7.9367 8.7676 8.7676 9.1845 9.1845 9.8127 9.8127 10.0543 10.0543 k =-0.5000 0.2130 0.2145 ( 3646 PWs) bands (ev): -27.5656 -27.5656 -27.5617 -27.5617 -10.4199 -10.4199 -10.4111 -10.4111 -9.3740 -9.3740 -9.3046 -9.3046 -9.2293 -9.2293 -9.1680 -9.1680 -1.4178 -1.4178 2.3145 2.3145 4.8459 4.8459 5.9380 5.9380 6.8461 6.8461 7.9123 7.9123 8.8722 8.8722 9.0404 9.0404 9.8269 9.8269 10.1210 10.1210 k =-0.5000 0.2130 0.1950 ( 3646 PWs) bands (ev): -27.5660 -27.5660 -27.5620 -27.5620 -10.4180 -10.4180 -10.4098 -10.4098 -9.3700 -9.3700 -9.3053 -9.3053 -9.2258 -9.2258 -9.1682 -9.1682 -1.4472 -1.4472 2.3012 2.3012 4.9823 4.9823 5.9258 5.9258 6.8541 6.8541 7.8885 7.8885 8.8888 8.8888 8.9801 8.9801 9.8413 9.8413 10.1262 10.1262 k =-0.5000 0.2130 0.1755 ( 3636 PWs) bands (ev): -27.5663 -27.5663 -27.5623 -27.5623 -10.4162 -10.4162 -10.4087 -10.4087 -9.3660 -9.3660 -9.3066 -9.3066 -9.2221 -9.2221 -9.1686 -9.1686 -1.4738 -1.4738 2.2876 2.2876 5.1209 5.1209 5.9147 5.9147 6.8596 6.8596 7.8657 7.8657 8.7371 8.7371 9.0857 9.0857 9.8556 9.8556 10.1003 10.1003 k =-0.5000 0.2130 0.1560 ( 3636 PWs) bands (ev): -27.5667 -27.5667 -27.5625 -27.5625 -10.4146 -10.4146 -10.4078 -10.4078 -9.3620 -9.3620 -9.3083 -9.3083 -9.2182 -9.2182 -9.1692 -9.1692 -1.4976 -1.4976 2.2743 2.2743 5.2603 5.2603 5.9048 5.9048 6.8632 6.8632 7.8442 7.8442 8.5839 8.5839 9.1919 9.1919 9.8693 9.8693 10.0719 10.0719 k =-0.5000 0.2130 0.1365 ( 3652 PWs) bands (ev): -27.5669 -27.5669 -27.5627 -27.5627 -10.4131 -10.4131 -10.4070 -10.4070 -9.3580 -9.3580 -9.3104 -9.3104 -9.2144 -9.2144 -9.1699 -9.1699 -1.5187 -1.5187 2.2616 2.2616 5.3987 5.3987 5.8959 5.8959 6.8653 6.8653 7.8244 7.8244 8.4320 8.4320 9.2973 9.2973 9.8822 9.8822 10.0434 10.0434 k =-0.5000 0.2130 0.1170 ( 3656 PWs) bands (ev): -27.5672 -27.5672 -27.5629 -27.5629 -10.4117 -10.4117 -10.4064 -10.4064 -9.3541 -9.3541 -9.3128 -9.3128 -9.2106 -9.2106 -9.1707 -9.1707 -1.5370 -1.5370 2.2500 2.2500 5.5340 5.5340 5.8882 5.8882 6.8663 6.8663 7.8065 7.8065 8.2841 8.2841 9.4005 9.4005 9.8937 9.8937 10.0167 10.0167 k =-0.5000 0.2130 0.0975 ( 3654 PWs) bands (ev): -27.5674 -27.5674 -27.5631 -27.5631 -10.4105 -10.4105 -10.4060 -10.4060 -9.3502 -9.3502 -9.3154 -9.3154 -9.2070 -9.2070 -9.1717 -9.1717 -1.5524 -1.5524 2.2398 2.2398 5.6634 5.6634 5.8817 5.8817 6.8667 6.8667 7.7909 7.7909 8.1435 8.1435 9.4998 9.4998 9.9033 9.9033 9.9932 9.9932 k =-0.5000 0.2130 0.0780 ( 3654 PWs) bands (ev): -27.5676 -27.5676 -27.5632 -27.5632 -10.4094 -10.4094 -10.4057 -10.4057 -9.3464 -9.3464 -9.3182 -9.3182 -9.2037 -9.2037 -9.1728 -9.1728 -1.5651 -1.5651 2.2311 2.2311 5.7831 5.7831 5.8763 5.8763 6.8666 6.8666 7.7777 7.7777 8.0143 8.0143 9.5926 9.5926 9.9103 9.9103 9.9742 9.9742 k =-0.5000 0.2130 0.0585 ( 3656 PWs) bands (ev): -27.5677 -27.5677 -27.5633 -27.5633 -10.4084 -10.4084 -10.4056 -10.4056 -9.3427 -9.3427 -9.3211 -9.3211 -9.2009 -9.2009 -9.1739 -9.1739 -1.5750 -1.5750 2.2242 2.2242 5.8721 5.8721 5.8880 5.8880 6.8663 6.8663 7.7673 7.7673 7.9018 7.9018 9.6751 9.6751 9.9136 9.9136 9.9613 9.9613 k =-0.5000 0.2130 0.0390 ( 3662 PWs) bands (ev): -27.5678 -27.5678 -27.5634 -27.5634 -10.4076 -10.4076 -10.4056 -10.4056 -9.3392 -9.3392 -9.3241 -9.3241 -9.1986 -9.1986 -9.1749 -9.1749 -1.5820 -1.5820 2.2192 2.2192 5.8691 5.8691 5.9713 5.9713 6.8660 6.8660 7.7597 7.7597 7.8128 7.8128 9.7419 9.7419 9.9132 9.9132 9.9548 9.9548 k =-0.5000 0.2130 0.0195 ( 3664 PWs) bands (ev): -27.5678 -27.5678 -27.5635 -27.5635 -10.4070 -10.4070 -10.4058 -10.4058 -9.3361 -9.3361 -9.3269 -9.3269 -9.1971 -9.1971 -9.1756 -9.1756 -1.5863 -1.5863 2.2161 2.2161 5.8673 5.8673 6.0257 6.0257 6.8657 6.8657 7.7543 7.7543 7.7557 7.7557 9.7862 9.7862 9.9111 9.9111 9.9526 9.9526 k =-0.5000 0.2130 0.0000 ( 3664 PWs) bands (ev): -27.5679 -27.5679 -27.5635 -27.5635 -10.4067 -10.4067 -10.4059 -10.4059 -9.3345 -9.3345 -9.3284 -9.3284 -9.1966 -9.1966 -9.1759 -9.1759 -1.5877 -1.5877 2.2151 2.2151 5.8667 5.8667 6.0447 6.0447 6.8657 6.8657 7.7347 7.7347 7.7536 7.7536 9.8019 9.8019 9.9101 9.9101 9.9522 9.9522 k = 0.0000 0.0000 0.7605 ( 3688 PWs) bands (ev): -27.5548 -27.5548 -27.5548 -27.5548 -10.4457 -10.4457 -10.4457 -10.4457 -9.3580 -9.3580 -9.3580 -9.3580 -9.2749 -9.2749 -9.2749 -9.2749 0.3159 0.3159 0.3159 0.3159 5.5327 5.5327 5.5327 5.5327 6.4316 6.4316 6.4316 6.4316 7.8948 7.8948 7.8948 7.8948 10.6974 10.6974 10.6974 10.6974 k =-0.0179 0.0076 0.7605 ( 3676 PWs) bands (ev): -27.5548 -27.5548 -27.5548 -27.5548 -10.4458 -10.4458 -10.4458 -10.4458 -9.3584 -9.3584 -9.3584 -9.3584 -9.2744 -9.2744 -9.2744 -9.2744 0.3163 0.3163 0.3163 0.3163 5.5304 5.5304 5.5304 5.5304 6.4323 6.4323 6.4323 6.4323 7.8972 7.8972 7.8972 7.8972 10.6987 10.6987 10.6987 10.6987 k =-0.0357 0.0152 0.7605 ( 3672 PWs) bands (ev): -27.5548 -27.5548 -27.5548 -27.5548 -10.4460 -10.4460 -10.4460 -10.4460 -9.3594 -9.3594 -9.3594 -9.3594 -9.2732 -9.2732 -9.2732 -9.2732 0.3175 0.3175 0.3175 0.3175 5.5235 5.5235 5.5235 5.5235 6.4347 6.4347 6.4347 6.4347 7.9045 7.9045 7.9045 7.9045 10.7024 10.7024 10.7024 10.7024 k =-0.0536 0.0228 0.7605 ( 3672 PWs) bands (ev): -27.5548 -27.5548 -27.5548 -27.5548 -10.4463 -10.4463 -10.4463 -10.4463 -9.3611 -9.3611 -9.3611 -9.3611 -9.2712 -9.2712 -9.2712 -9.2712 0.3195 0.3195 0.3195 0.3195 5.5121 5.5121 5.5121 5.5121 6.4386 6.4386 6.4386 6.4386 7.9166 7.9166 7.9166 7.9166 10.7083 10.7083 10.7083 10.7083 k =-0.0714 0.0304 0.7605 ( 3672 PWs) bands (ev): -27.5548 -27.5548 -27.5548 -27.5548 -10.4467 -10.4467 -10.4467 -10.4467 -9.3634 -9.3634 -9.3634 -9.3634 -9.2685 -9.2685 -9.2685 -9.2685 0.3223 0.3223 0.3223 0.3223 5.4964 5.4964 5.4964 5.4964 6.4440 6.4440 6.4440 6.4440 7.9333 7.9333 7.9333 7.9333 10.7161 10.7161 10.7161 10.7161 k =-0.0893 0.0380 0.7605 ( 3666 PWs) bands (ev): -27.5548 -27.5548 -27.5548 -27.5548 -10.4472 -10.4472 -10.4472 -10.4472 -9.3661 -9.3661 -9.3661 -9.3661 -9.2653 -9.2653 -9.2653 -9.2653 0.3259 0.3259 0.3259 0.3259 5.4767 5.4767 5.4767 5.4767 6.4510 6.4510 6.4510 6.4510 7.9547 7.9547 7.9547 7.9547 10.7251 10.7251 10.7251 10.7251 k =-0.1071 0.0457 0.7605 ( 3666 PWs) bands (ev): -27.5548 -27.5548 -27.5548 -27.5548 -10.4478 -10.4478 -10.4478 -10.4478 -9.3691 -9.3691 -9.3691 -9.3691 -9.2617 -9.2617 -9.2617 -9.2617 0.3301 0.3301 0.3301 0.3301 5.4535 5.4535 5.4535 5.4535 6.4593 6.4593 6.4593 6.4593 7.9805 7.9805 7.9805 7.9805 10.7349 10.7349 10.7349 10.7349 k =-0.1250 0.0533 0.7605 ( 3672 PWs) bands (ev): -27.5548 -27.5548 -27.5548 -27.5548 -10.4485 -10.4485 -10.4485 -10.4485 -9.3723 -9.3723 -9.3723 -9.3723 -9.2578 -9.2578 -9.2578 -9.2578 0.3351 0.3351 0.3351 0.3351 5.4270 5.4270 5.4270 5.4270 6.4690 6.4690 6.4690 6.4690 8.0107 8.0107 8.0107 8.0107 10.7446 10.7446 10.7446 10.7446 k =-0.1429 0.0609 0.7605 ( 3676 PWs) bands (ev): -27.5548 -27.5548 -27.5548 -27.5548 -10.4493 -10.4493 -10.4493 -10.4493 -9.3756 -9.3756 -9.3756 -9.3756 -9.2537 -9.2537 -9.2537 -9.2537 0.3406 0.3406 0.3406 0.3406 5.3977 5.3977 5.3977 5.3977 6.4799 6.4799 6.4799 6.4799 8.0449 8.0449 8.0449 8.0449 10.7532 10.7532 10.7532 10.7532 k =-0.1607 0.0685 0.7605 ( 3662 PWs) bands (ev): -27.5548 -27.5548 -27.5548 -27.5548 -10.4502 -10.4502 -10.4502 -10.4502 -9.3790 -9.3790 -9.3790 -9.3790 -9.2494 -9.2494 -9.2494 -9.2494 0.3467 0.3467 0.3467 0.3467 5.3661 5.3661 5.3661 5.3661 6.4920 6.4920 6.4920 6.4920 8.0832 8.0832 8.0832 8.0832 10.7597 10.7597 10.7597 10.7597 k =-0.1786 0.0761 0.7605 ( 3658 PWs) bands (ev): -27.5548 -27.5548 -27.5548 -27.5548 -10.4511 -10.4511 -10.4511 -10.4511 -9.3824 -9.3824 -9.3824 -9.3824 -9.2450 -9.2450 -9.2450 -9.2450 0.3533 0.3533 0.3533 0.3533 5.3326 5.3326 5.3326 5.3326 6.5052 6.5052 6.5052 6.5052 8.1251 8.1251 8.1251 8.1251 10.7630 10.7630 10.7630 10.7630 k =-0.1964 0.0837 0.7605 ( 3650 PWs) bands (ev): -27.5548 -27.5548 -27.5548 -27.5548 -10.4521 -10.4521 -10.4521 -10.4521 -9.3858 -9.3858 -9.3858 -9.3858 -9.2407 -9.2407 -9.2407 -9.2407 0.3604 0.3604 0.3604 0.3604 5.2977 5.2977 5.2977 5.2977 6.5192 6.5192 6.5192 6.5192 8.1707 8.1707 8.1707 8.1707 10.7620 10.7620 10.7620 10.7620 k =-0.2143 0.0913 0.7605 ( 3650 PWs) bands (ev): -27.5548 -27.5548 -27.5548 -27.5548 -10.4531 -10.4531 -10.4531 -10.4531 -9.3891 -9.3891 -9.3891 -9.3891 -9.2364 -9.2364 -9.2364 -9.2364 0.3677 0.3677 0.3677 0.3677 5.2619 5.2619 5.2619 5.2619 6.5341 6.5341 6.5341 6.5341 8.2196 8.2196 8.2196 8.2196 10.7556 10.7556 10.7556 10.7556 k =-0.2321 0.0989 0.7605 ( 3662 PWs) bands (ev): -27.5548 -27.5548 -27.5548 -27.5548 -10.4542 -10.4542 -10.4542 -10.4542 -9.3923 -9.3923 -9.3923 -9.3923 -9.2321 -9.2321 -9.2321 -9.2321 0.3753 0.3753 0.3753 0.3753 5.2256 5.2256 5.2256 5.2256 6.5495 6.5495 6.5495 6.5495 8.2717 8.2717 8.2717 8.2717 10.7428 10.7428 10.7428 10.7428 k =-0.2500 0.1065 0.7605 ( 3656 PWs) bands (ev): -27.5547 -27.5547 -27.5547 -27.5547 -10.4552 -10.4552 -10.4552 -10.4552 -9.3954 -9.3954 -9.3954 -9.3954 -9.2280 -9.2280 -9.2280 -9.2280 0.3831 0.3831 0.3831 0.3831 5.1894 5.1894 5.1894 5.1894 6.5655 6.5655 6.5655 6.5655 8.3267 8.3267 8.3267 8.3267 10.7227 10.7227 10.7227 10.7227 k =-0.2679 0.1141 0.7605 ( 3654 PWs) bands (ev): -27.5547 -27.5547 -27.5547 -27.5547 -10.4563 -10.4563 -10.4563 -10.4563 -9.3983 -9.3983 -9.3983 -9.3983 -9.2240 -9.2240 -9.2240 -9.2240 0.3909 0.3909 0.3909 0.3909 5.1536 5.1536 5.1536 5.1536 6.5816 6.5816 6.5816 6.5816 8.3844 8.3844 8.3844 8.3844 10.6949 10.6949 10.6949 10.6949 k =-0.2857 0.1217 0.7605 ( 3652 PWs) bands (ev): -27.5547 -27.5547 -27.5547 -27.5547 -10.4573 -10.4573 -10.4573 -10.4573 -9.4010 -9.4010 -9.4010 -9.4010 -9.2202 -9.2202 -9.2202 -9.2202 0.3987 0.3987 0.3987 0.3987 5.1187 5.1187 5.1187 5.1187 6.5979 6.5979 6.5979 6.5979 8.4443 8.4443 8.4443 8.4443 10.6595 10.6595 10.6595 10.6595 k =-0.3036 0.1294 0.7605 ( 3652 PWs) bands (ev): -27.5547 -27.5547 -27.5547 -27.5547 -10.4584 -10.4584 -10.4584 -10.4584 -9.4036 -9.4036 -9.4036 -9.4036 -9.2167 -9.2167 -9.2167 -9.2167 0.4063 0.4063 0.4063 0.4063 5.0850 5.0850 5.0850 5.0850 6.6140 6.6140 6.6140 6.6140 8.5063 8.5063 8.5063 8.5063 10.6168 10.6168 10.6168 10.6168 k =-0.3214 0.1370 0.7605 ( 3652 PWs) bands (ev): -27.5547 -27.5547 -27.5547 -27.5547 -10.4593 -10.4593 -10.4593 -10.4593 -9.4060 -9.4060 -9.4060 -9.4060 -9.2133 -9.2133 -9.2133 -9.2133 0.4138 0.4138 0.4138 0.4138 5.0529 5.0529 5.0529 5.0529 6.6297 6.6297 6.6297 6.6297 8.5698 8.5698 8.5698 8.5698 10.5676 10.5676 10.5676 10.5676 k =-0.3393 0.1446 0.7605 ( 3650 PWs) bands (ev): -27.5547 -27.5547 -27.5547 -27.5547 -10.4603 -10.4603 -10.4603 -10.4603 -9.4081 -9.4081 -9.4081 -9.4081 -9.2102 -9.2102 -9.2102 -9.2102 0.4208 0.4208 0.4208 0.4208 5.0228 5.0228 5.0228 5.0228 6.6449 6.6449 6.6449 6.6449 8.6343 8.6343 8.6343 8.6343 10.5133 10.5133 10.5133 10.5133 k =-0.3571 0.1522 0.7605 ( 3656 PWs) bands (ev): -27.5547 -27.5547 -27.5547 -27.5547 -10.4611 -10.4611 -10.4611 -10.4611 -9.4101 -9.4101 -9.4101 -9.4101 -9.2074 -9.2074 -9.2074 -9.2074 0.4275 0.4275 0.4275 0.4275 4.9950 4.9950 4.9950 4.9950 6.6593 6.6593 6.6593 6.6593 8.6991 8.6991 8.6991 8.6991 10.4550 10.4550 10.4550 10.4550 k =-0.3750 0.1598 0.7605 ( 3664 PWs) bands (ev): -27.5547 -27.5547 -27.5547 -27.5547 -10.4619 -10.4619 -10.4619 -10.4619 -9.4118 -9.4118 -9.4118 -9.4118 -9.2049 -9.2049 -9.2049 -9.2049 0.4336 0.4336 0.4336 0.4336 4.9698 4.9698 4.9698 4.9698 6.6726 6.6726 6.6726 6.6726 8.7634 8.7634 8.7634 8.7634 10.3944 10.3944 10.3944 10.3944 k =-0.3929 0.1674 0.7605 ( 3656 PWs) bands (ev): -27.5547 -27.5547 -27.5547 -27.5547 -10.4626 -10.4626 -10.4626 -10.4626 -9.4134 -9.4134 -9.4134 -9.4134 -9.2027 -9.2027 -9.2027 -9.2027 0.4391 0.4391 0.4391 0.4391 4.9474 4.9474 4.9474 4.9474 6.6847 6.6847 6.6847 6.6847 8.8260 8.8260 8.8260 8.8260 10.3330 10.3330 10.3330 10.3330 k =-0.4107 0.1750 0.7605 ( 3656 PWs) bands (ev): -27.5547 -27.5547 -27.5547 -27.5547 -10.4632 -10.4632 -10.4632 -10.4632 -9.4146 -9.4146 -9.4146 -9.4146 -9.2008 -9.2008 -9.2008 -9.2008 0.4439 0.4439 0.4439 0.4439 4.9281 4.9281 4.9281 4.9281 6.6953 6.6953 6.6953 6.6953 8.8855 8.8855 8.8855 8.8855 10.2732 10.2732 10.2732 10.2732 k =-0.4286 0.1826 0.7605 ( 3660 PWs) bands (ev): -27.5547 -27.5547 -27.5547 -27.5547 -10.4637 -10.4637 -10.4637 -10.4637 -9.4157 -9.4157 -9.4157 -9.4157 -9.1992 -9.1992 -9.1992 -9.1992 0.4480 0.4480 0.4480 0.4480 4.9120 4.9120 4.9120 4.9120 6.7042 6.7042 6.7042 6.7042 8.9399 8.9399 8.9399 8.9399 10.2176 10.2176 10.2176 10.2176 k =-0.4464 0.1902 0.7605 ( 3660 PWs) bands (ev): -27.5547 -27.5547 -27.5547 -27.5547 -10.4641 -10.4641 -10.4641 -10.4641 -9.4165 -9.4165 -9.4165 -9.4165 -9.1980 -9.1980 -9.1980 -9.1980 0.4512 0.4512 0.4512 0.4512 4.8993 4.8993 4.8993 4.8993 6.7114 6.7114 6.7114 6.7114 8.9869 8.9869 8.9869 8.9869 10.1691 10.1691 10.1691 10.1691 k =-0.4643 0.1978 0.7605 ( 3656 PWs) bands (ev): -27.5547 -27.5547 -27.5547 -27.5547 -10.4644 -10.4644 -10.4644 -10.4644 -9.4171 -9.4171 -9.4171 -9.4171 -9.1971 -9.1971 -9.1971 -9.1971 0.4535 0.4535 0.4535 0.4535 4.8901 4.8901 4.8901 4.8901 6.7166 6.7166 6.7166 6.7166 9.0236 9.0236 9.0236 9.0236 10.1309 10.1309 10.1309 10.1309 k =-0.4821 0.2054 0.7605 ( 3648 PWs) bands (ev): -27.5547 -27.5547 -27.5547 -27.5547 -10.4646 -10.4646 -10.4646 -10.4646 -9.4175 -9.4175 -9.4175 -9.4175 -9.1965 -9.1965 -9.1965 -9.1965 0.4549 0.4549 0.4549 0.4549 4.8846 4.8846 4.8846 4.8846 6.7198 6.7198 6.7198 6.7198 9.0471 9.0471 9.0471 9.0471 10.1064 10.1064 10.1064 10.1064 k =-0.5000 0.2130 0.7605 ( 3652 PWs) bands (ev): -27.5547 -27.5547 -27.5547 -27.5547 -10.4647 -10.4647 -10.4647 -10.4647 -9.4176 -9.4176 -9.4176 -9.4176 -9.1964 -9.1964 -9.1964 -9.1964 0.4554 0.4554 0.4554 0.4554 4.8827 4.8827 4.8827 4.8827 6.7208 6.7208 6.7208 6.7208 9.0553 9.0553 9.0553 9.0553 10.0979 10.0979 10.0979 10.0979 Writing output data file SrSi.save init_run : 0.24s CPU 0.38s WALL ( 1 calls) electrons : 115.66s CPU 118.12s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 115.65s CPU 118.11s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.08s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.04s WALL ( 388 calls) cegterg : 105.15s CPU 106.78s WALL ( 538 calls) Called by sum_band: Called by *egterg: h_psi : 60.92s CPU 62.14s WALL ( 9016 calls) s_psi : 4.26s CPU 4.18s WALL ( 9016 calls) g_psi : 0.17s CPU 0.18s WALL ( 8090 calls) cdiaghg : 37.21s CPU 37.81s WALL ( 8478 calls) cegterg:over : 3.44s CPU 3.62s WALL ( 8090 calls) cegterg:upda : 3.28s CPU 3.12s WALL ( 8090 calls) cegterg:last : 1.79s CPU 1.81s WALL ( 1566 calls) cdiaghg:chol : 2.13s CPU 2.12s WALL ( 8478 calls) cdiaghg:inve : 0.97s CPU 1.09s WALL ( 8478 calls) cdiaghg:para : 2.05s CPU 2.22s WALL ( 16956 calls) Called by h_psi: h_psi:vloc : 51.68s CPU 52.81s WALL ( 9016 calls) h_psi:vnl : 9.10s CPU 9.18s WALL ( 9016 calls) add_vuspsi : 5.04s CPU 4.94s WALL ( 9016 calls) General routines calbec : 4.04s CPU 4.22s WALL ( 9016 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 47.96s CPU 48.77s WALL ( 675048 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.49s WALL ( 776 calls) Parallel routines fft_scatter : 18.03s CPU 18.03s WALL ( 675071 calls) PWSCF : 2m 8.67s CPU 2m44.58s WALL This run was terminated on: 21:18:33 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=