Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 19:23:29 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: ./RbAlF4.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized file Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 33 21 6 1507 741 122 Max 34 22 7 1516 763 129 Sum 1201 761 233 54347 27117 4445 bravais-lattice index = 14 lattice parameter (alat) = 6.9138 a.u. unit-cell volume = 569.6226 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 317.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.913752 celldm(2)= 1.000000 celldm(3)= 1.723637 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.723637 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.580168 ) PseudoPot. # 1 for F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 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. # 3 for Rb read from file: /users/gautes/Pseudo/Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 948b8f0a9070089a35782939cf30e963 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1219 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 F 7.00 18.99840 F( 1.00) Al 3.00 26.98150 Al( 1.00) Rb 9.00 85.46780 Rb( 1.00) 16 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] 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 = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inversion cryst. s( 9) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 9) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(10) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(10) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(14) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group D_4h(4/mmm) there are 14 classes and 4 irreducible representations the character table: E -E 2C4 -2C4 C2 2C2' 2C2'' i -i 2S4 -2S4 s_h -C2 -2C2' -2C2' -s_h G_6+ 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 2.00 -2.00 1.41 -1.41 0.00 G_7+ 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 2.00 -2.00 -1.41 1.41 0.00 G_6- 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 -2.00 2.00 -1.41 1.41 0.00 G_7- 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 -2.00 2.00 1.41 -1.41 0.00 2s_v 2s_d -2s_v -2s_d G_6+ 0.00 0.00 G_7+ 0.00 0.00 G_6- 0.00 0.00 G_7- 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C4 7 8 90 deg rotation - cart. axis [0,0,-1] -2C4 -7 -8 90 deg rotation - cart. axis [0,0,-1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 2C2'-2C2' 3 -3 4 -4 180 deg rotation - cart. axis [0,1,0] 2C2''-2C2' 5 -5 6 -6 180 deg rotation - cart. axis [1,1,0] i 9 inversion -i -9 inversion E 2S4 15 16 inv. 90 deg rotation - cart. axis [0,0,-1] -2S4 -15 -16 inv. 90 deg rotation - cart. axis [0,0,-1] E s_h -s_h 10 -10 inv. 180 deg rotation - cart. axis [0,0,1] 2s_v-2s_v 11 -11 12 -12 inv. 180 deg rotation - cart. axis [0,1,0] 2s_d-2s_d 13 -13 14 -14 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 378 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 2) = ( 0.0000000 0.0116279 -0.0000000), wk = 0.0026455 k( 3) = ( 0.0000000 0.0232558 -0.0000000), wk = 0.0026455 k( 4) = ( 0.0000000 0.0348837 -0.0000000), wk = 0.0026455 k( 5) = ( 0.0000000 0.0465116 -0.0000000), wk = 0.0026455 k( 6) = ( 0.0000000 0.0581395 -0.0000000), wk = 0.0026455 k( 7) = ( 0.0000000 0.0697674 -0.0000000), wk = 0.0026455 k( 8) = ( 0.0000000 0.0813954 -0.0000000), wk = 0.0026455 k( 9) = ( 0.0000000 0.0930233 -0.0000000), wk = 0.0026455 k( 10) = ( 0.0000000 0.1046512 -0.0000000), wk = 0.0026455 k( 11) = ( 0.0000000 0.1162791 -0.0000000), wk = 0.0026455 k( 12) = ( 0.0000000 0.1279070 -0.0000000), wk = 0.0026455 k( 13) = ( 0.0000000 0.1395349 -0.0000000), wk = 0.0026455 k( 14) = ( 0.0000000 0.1511628 -0.0000000), wk = 0.0026455 k( 15) = ( 0.0000000 0.1627907 -0.0000000), wk = 0.0026455 k( 16) = ( 0.0000000 0.1744186 -0.0000000), wk = 0.0026455 k( 17) = ( 0.0000000 0.1860465 -0.0000000), wk = 0.0026455 k( 18) = ( 0.0000000 0.1976744 -0.0000000), wk = 0.0026455 k( 19) = ( 0.0000000 0.2093023 -0.0000000), wk = 0.0026455 k( 20) = ( 0.0000000 0.2209302 -0.0000000), wk = 0.0026455 k( 21) = ( 0.0000000 0.2325581 -0.0000000), wk = 0.0026455 k( 22) = ( 0.0000000 0.2441860 -0.0000000), wk = 0.0026455 k( 23) = ( 0.0000000 0.2558140 -0.0000000), wk = 0.0026455 k( 24) = ( 0.0000000 0.2674419 -0.0000000), wk = 0.0026455 k( 25) = ( 0.0000000 0.2790698 -0.0000000), wk = 0.0026455 k( 26) = ( 0.0000000 0.2906977 -0.0000000), wk = 0.0026455 k( 27) = ( 0.0000000 0.3023256 -0.0000000), wk = 0.0026455 k( 28) = ( 0.0000000 0.3139535 -0.0000000), wk = 0.0026455 k( 29) = ( 0.0000000 0.3255814 -0.0000000), wk = 0.0026455 k( 30) = ( 0.0000000 0.3372093 -0.0000000), wk = 0.0026455 k( 31) = ( 0.0000000 0.3488372 -0.0000000), wk = 0.0026455 k( 32) = ( 0.0000000 0.3604651 -0.0000000), wk = 0.0026455 k( 33) = ( 0.0000000 0.3720930 -0.0000000), wk = 0.0026455 k( 34) = ( 0.0000000 0.3837209 -0.0000000), wk = 0.0026455 k( 35) = ( 0.0000000 0.3953488 -0.0000000), wk = 0.0026455 k( 36) = ( 0.0000000 0.4069767 -0.0000000), wk = 0.0026455 k( 37) = ( 0.0000000 0.4186047 -0.0000000), wk = 0.0026455 k( 38) = ( 0.0000000 0.4302326 -0.0000000), wk = 0.0026455 k( 39) = ( 0.0000000 0.4418605 -0.0000000), wk = 0.0026455 k( 40) = ( 0.0000000 0.4534884 -0.0000000), wk = 0.0026455 k( 41) = ( 0.0000000 0.4651163 -0.0000000), wk = 0.0026455 k( 42) = ( 0.0000000 0.4767442 -0.0000000), wk = 0.0026455 k( 43) = ( 0.0000000 0.4883721 -0.0000000), wk = 0.0026455 k( 44) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026455 k( 45) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026455 k( 46) = ( 0.0116279 0.5000000 -0.0000000), wk = 0.0026455 k( 47) = ( 0.0232558 0.5000000 -0.0000000), wk = 0.0026455 k( 48) = ( 0.0348837 0.5000000 -0.0000000), wk = 0.0026455 k( 49) = ( 0.0465116 0.5000000 -0.0000000), wk = 0.0026455 k( 50) = ( 0.0581395 0.5000000 -0.0000000), wk = 0.0026455 k( 51) = ( 0.0697674 0.5000000 -0.0000000), wk = 0.0026455 k( 52) = ( 0.0813954 0.5000000 -0.0000000), wk = 0.0026455 k( 53) = ( 0.0930233 0.5000000 -0.0000000), wk = 0.0026455 k( 54) = ( 0.1046512 0.5000000 -0.0000000), wk = 0.0026455 k( 55) = ( 0.1162791 0.5000000 -0.0000000), wk = 0.0026455 k( 56) = ( 0.1279070 0.5000000 -0.0000000), wk = 0.0026455 k( 57) = ( 0.1395349 0.5000000 -0.0000000), wk = 0.0026455 k( 58) = ( 0.1511628 0.5000000 -0.0000000), wk = 0.0026455 k( 59) = ( 0.1627907 0.5000000 -0.0000000), wk = 0.0026455 k( 60) = ( 0.1744186 0.5000000 -0.0000000), wk = 0.0026455 k( 61) = ( 0.1860465 0.5000000 -0.0000000), wk = 0.0026455 k( 62) = ( 0.1976744 0.5000000 -0.0000000), wk = 0.0026455 k( 63) = ( 0.2093023 0.5000000 -0.0000000), wk = 0.0026455 k( 64) = ( 0.2209302 0.5000000 -0.0000000), wk = 0.0026455 k( 65) = ( 0.2325581 0.5000000 -0.0000000), wk = 0.0026455 k( 66) = ( 0.2441860 0.5000000 -0.0000000), wk = 0.0026455 k( 67) = ( 0.2558140 0.5000000 -0.0000000), wk = 0.0026455 k( 68) = ( 0.2674419 0.5000000 -0.0000000), wk = 0.0026455 k( 69) = ( 0.2790698 0.5000000 -0.0000000), wk = 0.0026455 k( 70) = ( 0.2906977 0.5000000 -0.0000000), wk = 0.0026455 k( 71) = ( 0.3023256 0.5000000 -0.0000000), wk = 0.0026455 k( 72) = ( 0.3139535 0.5000000 -0.0000000), wk = 0.0026455 k( 73) = ( 0.3255814 0.5000000 -0.0000000), wk = 0.0026455 k( 74) = ( 0.3372093 0.5000000 -0.0000000), wk = 0.0026455 k( 75) = ( 0.3488372 0.5000000 -0.0000000), wk = 0.0026455 k( 76) = ( 0.3604651 0.5000000 -0.0000000), wk = 0.0026455 k( 77) = ( 0.3720930 0.5000000 -0.0000000), wk = 0.0026455 k( 78) = ( 0.3837209 0.5000000 -0.0000000), wk = 0.0026455 k( 79) = ( 0.3953488 0.5000000 -0.0000000), wk = 0.0026455 k( 80) = ( 0.4069767 0.5000000 -0.0000000), wk = 0.0026455 k( 81) = ( 0.4186047 0.5000000 -0.0000000), wk = 0.0026455 k( 82) = ( 0.4302326 0.5000000 -0.0000000), wk = 0.0026455 k( 83) = ( 0.4418605 0.5000000 -0.0000000), wk = 0.0026455 k( 84) = ( 0.4534884 0.5000000 -0.0000000), wk = 0.0026455 k( 85) = ( 0.4651163 0.5000000 -0.0000000), wk = 0.0026455 k( 86) = ( 0.4767442 0.5000000 -0.0000000), wk = 0.0026455 k( 87) = ( 0.4883721 0.5000000 -0.0000000), wk = 0.0026455 k( 88) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026455 k( 89) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026455 k( 90) = ( 0.4918033 0.4918033 -0.0000000), wk = 0.0026455 k( 91) = ( 0.4836066 0.4836066 -0.0000000), wk = 0.0026455 k( 92) = ( 0.4754098 0.4754098 -0.0000000), wk = 0.0026455 k( 93) = ( 0.4672131 0.4672131 -0.0000000), wk = 0.0026455 k( 94) = ( 0.4590164 0.4590164 -0.0000000), wk = 0.0026455 k( 95) = ( 0.4508197 0.4508197 -0.0000000), wk = 0.0026455 k( 96) = ( 0.4426230 0.4426229 -0.0000000), wk = 0.0026455 k( 97) = ( 0.4344262 0.4344262 -0.0000000), wk = 0.0026455 k( 98) = ( 0.4262295 0.4262295 -0.0000000), wk = 0.0026455 k( 99) = ( 0.4180328 0.4180328 -0.0000000), wk = 0.0026455 k( 100) = ( 0.4098361 0.4098361 -0.0000000), wk = 0.0026455 k( 101) = ( 0.4016393 0.4016393 -0.0000000), wk = 0.0026455 k( 102) = ( 0.3934426 0.3934426 -0.0000000), wk = 0.0026455 k( 103) = ( 0.3852459 0.3852459 -0.0000000), wk = 0.0026455 k( 104) = ( 0.3770492 0.3770492 -0.0000000), wk = 0.0026455 k( 105) = ( 0.3688525 0.3688525 -0.0000000), wk = 0.0026455 k( 106) = ( 0.3606557 0.3606557 -0.0000000), wk = 0.0026455 k( 107) = ( 0.3524590 0.3524590 -0.0000000), wk = 0.0026455 k( 108) = ( 0.3442623 0.3442623 -0.0000000), wk = 0.0026455 k( 109) = ( 0.3360656 0.3360656 -0.0000000), wk = 0.0026455 k( 110) = ( 0.3278688 0.3278688 -0.0000000), wk = 0.0026455 k( 111) = ( 0.3196721 0.3196721 -0.0000000), wk = 0.0026455 k( 112) = ( 0.3114754 0.3114754 -0.0000000), wk = 0.0026455 k( 113) = ( 0.3032787 0.3032787 -0.0000000), wk = 0.0026455 k( 114) = ( 0.2950820 0.2950820 -0.0000000), wk = 0.0026455 k( 115) = ( 0.2868852 0.2868852 -0.0000000), wk = 0.0026455 k( 116) = ( 0.2786885 0.2786885 -0.0000000), wk = 0.0026455 k( 117) = ( 0.2704918 0.2704918 -0.0000000), wk = 0.0026455 k( 118) = ( 0.2622951 0.2622951 -0.0000000), wk = 0.0026455 k( 119) = ( 0.2540984 0.2540984 -0.0000000), wk = 0.0026455 k( 120) = ( 0.2459016 0.2459016 -0.0000000), wk = 0.0026455 k( 121) = ( 0.2377049 0.2377049 -0.0000000), wk = 0.0026455 k( 122) = ( 0.2295082 0.2295082 -0.0000000), wk = 0.0026455 k( 123) = ( 0.2213115 0.2213115 -0.0000000), wk = 0.0026455 k( 124) = ( 0.2131147 0.2131147 -0.0000000), wk = 0.0026455 k( 125) = ( 0.2049180 0.2049180 -0.0000000), wk = 0.0026455 k( 126) = ( 0.1967213 0.1967213 -0.0000000), wk = 0.0026455 k( 127) = ( 0.1885246 0.1885246 -0.0000000), wk = 0.0026455 k( 128) = ( 0.1803279 0.1803279 -0.0000000), wk = 0.0026455 k( 129) = ( 0.1721312 0.1721311 -0.0000000), wk = 0.0026455 k( 130) = ( 0.1639344 0.1639344 -0.0000000), wk = 0.0026455 k( 131) = ( 0.1557377 0.1557377 -0.0000000), wk = 0.0026455 k( 132) = ( 0.1475410 0.1475410 -0.0000000), wk = 0.0026455 k( 133) = ( 0.1393443 0.1393443 -0.0000000), wk = 0.0026455 k( 134) = ( 0.1311475 0.1311475 -0.0000000), wk = 0.0026455 k( 135) = ( 0.1229508 0.1229508 -0.0000000), wk = 0.0026455 k( 136) = ( 0.1147541 0.1147541 -0.0000000), wk = 0.0026455 k( 137) = ( 0.1065574 0.1065574 -0.0000000), wk = 0.0026455 k( 138) = ( 0.0983607 0.0983607 -0.0000000), wk = 0.0026455 k( 139) = ( 0.0901639 0.0901639 -0.0000000), wk = 0.0026455 k( 140) = ( 0.0819672 0.0819672 -0.0000000), wk = 0.0026455 k( 141) = ( 0.0737705 0.0737705 -0.0000000), wk = 0.0026455 k( 142) = ( 0.0655738 0.0655738 -0.0000000), wk = 0.0026455 k( 143) = ( 0.0573770 0.0573770 -0.0000000), wk = 0.0026455 k( 144) = ( 0.0491803 0.0491803 -0.0000000), wk = 0.0026455 k( 145) = ( 0.0409836 0.0409836 -0.0000000), wk = 0.0026455 k( 146) = ( 0.0327869 0.0327869 -0.0000000), wk = 0.0026455 k( 147) = ( 0.0245902 0.0245902 -0.0000000), wk = 0.0026455 k( 148) = ( 0.0163934 0.0163934 -0.0000000), wk = 0.0026455 k( 149) = ( 0.0081967 0.0081967 -0.0000000), wk = 0.0026455 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 152) = ( 0.0000000 0.0000000 0.0116034), wk = 0.0026455 k( 153) = ( 0.0000000 0.0000000 0.0232067), wk = 0.0026455 k( 154) = ( 0.0000000 0.0000000 0.0348101), wk = 0.0026455 k( 155) = ( 0.0000000 0.0000000 0.0464135), wk = 0.0026455 k( 156) = ( 0.0000000 0.0000000 0.0580168), wk = 0.0026455 k( 157) = ( 0.0000000 0.0000000 0.0696202), wk = 0.0026455 k( 158) = ( 0.0000000 0.0000000 0.0812236), wk = 0.0026455 k( 159) = ( 0.0000000 0.0000000 0.0928269), wk = 0.0026455 k( 160) = ( 0.0000000 0.0000000 0.1044303), wk = 0.0026455 k( 161) = ( 0.0000000 0.0000000 0.1160337), wk = 0.0026455 k( 162) = ( 0.0000000 0.0000000 0.1276370), wk = 0.0026455 k( 163) = ( 0.0000000 0.0000000 0.1392404), wk = 0.0026455 k( 164) = ( 0.0000000 0.0000000 0.1508438), wk = 0.0026455 k( 165) = ( 0.0000000 0.0000000 0.1624472), wk = 0.0026455 k( 166) = ( 0.0000000 0.0000000 0.1740505), wk = 0.0026455 k( 167) = ( 0.0000000 0.0000000 0.1856539), wk = 0.0026455 k( 168) = ( 0.0000000 0.0000000 0.1972573), wk = 0.0026455 k( 169) = ( 0.0000000 0.0000000 0.2088606), wk = 0.0026455 k( 170) = ( 0.0000000 0.0000000 0.2204640), wk = 0.0026455 k( 171) = ( 0.0000000 0.0000000 0.2320674), wk = 0.0026455 k( 172) = ( 0.0000000 0.0000000 0.2436707), wk = 0.0026455 k( 173) = ( 0.0000000 0.0000000 0.2552741), wk = 0.0026455 k( 174) = ( 0.0000000 0.0000000 0.2668775), wk = 0.0026455 k( 175) = ( 0.0000000 0.0000000 0.2784808), wk = 0.0026455 k( 176) = ( 0.0000000 0.0000000 0.2900842), wk = 0.0026455 k( 177) = ( 0.0000000 0.0000000 0.2900842), wk = 0.0026455 k( 178) = ( 0.0000000 0.0116279 0.2900842), wk = 0.0026455 k( 179) = ( 0.0000000 0.0232558 0.2900842), wk = 0.0026455 k( 180) = ( 0.0000000 0.0348837 0.2900842), wk = 0.0026455 k( 181) = ( 0.0000000 0.0465116 0.2900842), wk = 0.0026455 k( 182) = ( 0.0000000 0.0581395 0.2900842), wk = 0.0026455 k( 183) = ( 0.0000000 0.0697674 0.2900842), wk = 0.0026455 k( 184) = ( 0.0000000 0.0813954 0.2900842), wk = 0.0026455 k( 185) = ( 0.0000000 0.0930233 0.2900842), wk = 0.0026455 k( 186) = ( 0.0000000 0.1046512 0.2900842), wk = 0.0026455 k( 187) = ( 0.0000000 0.1162791 0.2900842), wk = 0.0026455 k( 188) = ( 0.0000000 0.1279070 0.2900842), wk = 0.0026455 k( 189) = ( 0.0000000 0.1395349 0.2900842), wk = 0.0026455 k( 190) = ( 0.0000000 0.1511628 0.2900842), wk = 0.0026455 k( 191) = ( 0.0000000 0.1627907 0.2900842), wk = 0.0026455 k( 192) = ( 0.0000000 0.1744186 0.2900842), wk = 0.0026455 k( 193) = ( 0.0000000 0.1860465 0.2900842), wk = 0.0026455 k( 194) = ( 0.0000000 0.1976744 0.2900842), wk = 0.0026455 k( 195) = ( 0.0000000 0.2093023 0.2900842), wk = 0.0026455 k( 196) = ( 0.0000000 0.2209302 0.2900842), wk = 0.0026455 k( 197) = ( 0.0000000 0.2325581 0.2900842), wk = 0.0026455 k( 198) = ( 0.0000000 0.2441860 0.2900842), wk = 0.0026455 k( 199) = ( 0.0000000 0.2558140 0.2900842), wk = 0.0026455 k( 200) = ( 0.0000000 0.2674419 0.2900842), wk = 0.0026455 k( 201) = ( 0.0000000 0.2790698 0.2900842), wk = 0.0026455 k( 202) = ( 0.0000000 0.2906977 0.2900842), wk = 0.0026455 k( 203) = ( 0.0000000 0.3023256 0.2900842), wk = 0.0026455 k( 204) = ( 0.0000000 0.3139535 0.2900842), wk = 0.0026455 k( 205) = ( 0.0000000 0.3255814 0.2900842), wk = 0.0026455 k( 206) = ( 0.0000000 0.3372093 0.2900842), wk = 0.0026455 k( 207) = ( 0.0000000 0.3488372 0.2900842), wk = 0.0026455 k( 208) = ( 0.0000000 0.3604651 0.2900842), wk = 0.0026455 k( 209) = ( 0.0000000 0.3720930 0.2900842), wk = 0.0026455 k( 210) = ( 0.0000000 0.3837209 0.2900842), wk = 0.0026455 k( 211) = ( 0.0000000 0.3953488 0.2900842), wk = 0.0026455 k( 212) = ( 0.0000000 0.4069767 0.2900842), wk = 0.0026455 k( 213) = ( 0.0000000 0.4186047 0.2900842), wk = 0.0026455 k( 214) = ( 0.0000000 0.4302326 0.2900842), wk = 0.0026455 k( 215) = ( 0.0000000 0.4418605 0.2900842), wk = 0.0026455 k( 216) = ( 0.0000000 0.4534884 0.2900842), wk = 0.0026455 k( 217) = ( 0.0000000 0.4651163 0.2900842), wk = 0.0026455 k( 218) = ( 0.0000000 0.4767442 0.2900842), wk = 0.0026455 k( 219) = ( 0.0000000 0.4883721 0.2900842), wk = 0.0026455 k( 220) = ( 0.0000000 0.5000000 0.2900842), wk = 0.0026455 k( 221) = ( 0.0000000 0.5000000 0.2900842), wk = 0.0026455 k( 222) = ( 0.0116279 0.5000000 0.2900842), wk = 0.0026455 k( 223) = ( 0.0232558 0.5000000 0.2900842), wk = 0.0026455 k( 224) = ( 0.0348837 0.5000000 0.2900842), wk = 0.0026455 k( 225) = ( 0.0465116 0.5000000 0.2900842), wk = 0.0026455 k( 226) = ( 0.0581395 0.5000000 0.2900842), wk = 0.0026455 k( 227) = ( 0.0697674 0.5000000 0.2900842), wk = 0.0026455 k( 228) = ( 0.0813954 0.5000000 0.2900842), wk = 0.0026455 k( 229) = ( 0.0930233 0.5000000 0.2900842), wk = 0.0026455 k( 230) = ( 0.1046512 0.5000000 0.2900842), wk = 0.0026455 k( 231) = ( 0.1162791 0.5000000 0.2900842), wk = 0.0026455 k( 232) = ( 0.1279070 0.5000000 0.2900842), wk = 0.0026455 k( 233) = ( 0.1395349 0.5000000 0.2900842), wk = 0.0026455 k( 234) = ( 0.1511628 0.5000000 0.2900842), wk = 0.0026455 k( 235) = ( 0.1627907 0.5000000 0.2900842), wk = 0.0026455 k( 236) = ( 0.1744186 0.5000000 0.2900842), wk = 0.0026455 k( 237) = ( 0.1860465 0.5000000 0.2900842), wk = 0.0026455 k( 238) = ( 0.1976744 0.5000000 0.2900842), wk = 0.0026455 k( 239) = ( 0.2093023 0.5000000 0.2900842), wk = 0.0026455 k( 240) = ( 0.2209302 0.5000000 0.2900842), wk = 0.0026455 k( 241) = ( 0.2325581 0.5000000 0.2900842), wk = 0.0026455 k( 242) = ( 0.2441860 0.5000000 0.2900842), wk = 0.0026455 k( 243) = ( 0.2558140 0.5000000 0.2900842), wk = 0.0026455 k( 244) = ( 0.2674419 0.5000000 0.2900842), wk = 0.0026455 k( 245) = ( 0.2790698 0.5000000 0.2900842), wk = 0.0026455 k( 246) = ( 0.2906977 0.5000000 0.2900842), wk = 0.0026455 k( 247) = ( 0.3023256 0.5000000 0.2900842), wk = 0.0026455 k( 248) = ( 0.3139535 0.5000000 0.2900842), wk = 0.0026455 k( 249) = ( 0.3255814 0.5000000 0.2900842), wk = 0.0026455 k( 250) = ( 0.3372093 0.5000000 0.2900842), wk = 0.0026455 k( 251) = ( 0.3488372 0.5000000 0.2900842), wk = 0.0026455 k( 252) = ( 0.3604651 0.5000000 0.2900842), wk = 0.0026455 k( 253) = ( 0.3720930 0.5000000 0.2900842), wk = 0.0026455 k( 254) = ( 0.3837209 0.5000000 0.2900842), wk = 0.0026455 k( 255) = ( 0.3953488 0.5000000 0.2900842), wk = 0.0026455 k( 256) = ( 0.4069767 0.5000000 0.2900842), wk = 0.0026455 k( 257) = ( 0.4186047 0.5000000 0.2900842), wk = 0.0026455 k( 258) = ( 0.4302326 0.5000000 0.2900842), wk = 0.0026455 k( 259) = ( 0.4418605 0.5000000 0.2900842), wk = 0.0026455 k( 260) = ( 0.4534884 0.5000000 0.2900842), wk = 0.0026455 k( 261) = ( 0.4651163 0.5000000 0.2900842), wk = 0.0026455 k( 262) = ( 0.4767442 0.5000000 0.2900842), wk = 0.0026455 k( 263) = ( 0.4883721 0.5000000 0.2900842), wk = 0.0026455 k( 264) = ( 0.5000000 0.5000000 0.2900842), wk = 0.0026455 k( 265) = ( 0.5000000 0.5000000 0.2900842), wk = 0.0026455 k( 266) = ( 0.4918033 0.4918033 0.2900842), wk = 0.0026455 k( 267) = ( 0.4836066 0.4836066 0.2900842), wk = 0.0026455 k( 268) = ( 0.4754098 0.4754098 0.2900842), wk = 0.0026455 k( 269) = ( 0.4672131 0.4672131 0.2900842), wk = 0.0026455 k( 270) = ( 0.4590164 0.4590164 0.2900842), wk = 0.0026455 k( 271) = ( 0.4508197 0.4508197 0.2900842), wk = 0.0026455 k( 272) = ( 0.4426230 0.4426229 0.2900842), wk = 0.0026455 k( 273) = ( 0.4344262 0.4344262 0.2900842), wk = 0.0026455 k( 274) = ( 0.4262295 0.4262295 0.2900842), wk = 0.0026455 k( 275) = ( 0.4180328 0.4180328 0.2900842), wk = 0.0026455 k( 276) = ( 0.4098361 0.4098361 0.2900842), wk = 0.0026455 k( 277) = ( 0.4016393 0.4016393 0.2900842), wk = 0.0026455 k( 278) = ( 0.3934426 0.3934426 0.2900842), wk = 0.0026455 k( 279) = ( 0.3852459 0.3852459 0.2900842), wk = 0.0026455 k( 280) = ( 0.3770492 0.3770492 0.2900842), wk = 0.0026455 k( 281) = ( 0.3688525 0.3688525 0.2900842), wk = 0.0026455 k( 282) = ( 0.3606557 0.3606557 0.2900842), wk = 0.0026455 k( 283) = ( 0.3524590 0.3524590 0.2900842), wk = 0.0026455 k( 284) = ( 0.3442623 0.3442623 0.2900842), wk = 0.0026455 k( 285) = ( 0.3360656 0.3360656 0.2900842), wk = 0.0026455 k( 286) = ( 0.3278688 0.3278688 0.2900842), wk = 0.0026455 k( 287) = ( 0.3196721 0.3196721 0.2900842), wk = 0.0026455 k( 288) = ( 0.3114754 0.3114754 0.2900842), wk = 0.0026455 k( 289) = ( 0.3032787 0.3032787 0.2900842), wk = 0.0026455 k( 290) = ( 0.2950820 0.2950820 0.2900842), wk = 0.0026455 k( 291) = ( 0.2868852 0.2868852 0.2900842), wk = 0.0026455 k( 292) = ( 0.2786885 0.2786885 0.2900842), wk = 0.0026455 k( 293) = ( 0.2704918 0.2704918 0.2900842), wk = 0.0026455 k( 294) = ( 0.2622951 0.2622951 0.2900842), wk = 0.0026455 k( 295) = ( 0.2540984 0.2540984 0.2900842), wk = 0.0026455 k( 296) = ( 0.2459016 0.2459016 0.2900842), wk = 0.0026455 k( 297) = ( 0.2377049 0.2377049 0.2900842), wk = 0.0026455 k( 298) = ( 0.2295082 0.2295082 0.2900842), wk = 0.0026455 k( 299) = ( 0.2213115 0.2213115 0.2900842), wk = 0.0026455 k( 300) = ( 0.2131147 0.2131147 0.2900842), wk = 0.0026455 k( 301) = ( 0.2049180 0.2049180 0.2900842), wk = 0.0026455 k( 302) = ( 0.1967213 0.1967213 0.2900842), wk = 0.0026455 k( 303) = ( 0.1885246 0.1885246 0.2900842), wk = 0.0026455 k( 304) = ( 0.1803279 0.1803279 0.2900842), wk = 0.0026455 k( 305) = ( 0.1721312 0.1721311 0.2900842), wk = 0.0026455 k( 306) = ( 0.1639344 0.1639344 0.2900842), wk = 0.0026455 k( 307) = ( 0.1557377 0.1557377 0.2900842), wk = 0.0026455 k( 308) = ( 0.1475410 0.1475410 0.2900842), wk = 0.0026455 k( 309) = ( 0.1393443 0.1393443 0.2900842), wk = 0.0026455 k( 310) = ( 0.1311475 0.1311475 0.2900842), wk = 0.0026455 k( 311) = ( 0.1229508 0.1229508 0.2900842), wk = 0.0026455 k( 312) = ( 0.1147541 0.1147541 0.2900842), wk = 0.0026455 k( 313) = ( 0.1065574 0.1065574 0.2900842), wk = 0.0026455 k( 314) = ( 0.0983607 0.0983607 0.2900842), wk = 0.0026455 k( 315) = ( 0.0901639 0.0901639 0.2900842), wk = 0.0026455 k( 316) = ( 0.0819672 0.0819672 0.2900842), wk = 0.0026455 k( 317) = ( 0.0737705 0.0737705 0.2900842), wk = 0.0026455 k( 318) = ( 0.0655738 0.0655738 0.2900842), wk = 0.0026455 k( 319) = ( 0.0573770 0.0573770 0.2900842), wk = 0.0026455 k( 320) = ( 0.0491803 0.0491803 0.2900842), wk = 0.0026455 k( 321) = ( 0.0409836 0.0409836 0.2900842), wk = 0.0026455 k( 322) = ( 0.0327869 0.0327869 0.2900842), wk = 0.0026455 k( 323) = ( 0.0245902 0.0245902 0.2900842), wk = 0.0026455 k( 324) = ( 0.0163934 0.0163934 0.2900842), wk = 0.0026455 k( 325) = ( 0.0081967 0.0081967 0.2900842), wk = 0.0026455 k( 326) = ( 0.0000000 0.0000000 0.2900842), wk = 0.0026455 k( 327) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026455 k( 328) = ( 0.0000000 0.5000000 0.0116034), wk = 0.0026455 k( 329) = ( 0.0000000 0.5000000 0.0232067), wk = 0.0026455 k( 330) = ( 0.0000000 0.5000000 0.0348101), wk = 0.0026455 k( 331) = ( 0.0000000 0.5000000 0.0464135), wk = 0.0026455 k( 332) = ( 0.0000000 0.5000000 0.0580168), wk = 0.0026455 k( 333) = ( 0.0000000 0.5000000 0.0696202), wk = 0.0026455 k( 334) = ( 0.0000000 0.5000000 0.0812236), wk = 0.0026455 k( 335) = ( 0.0000000 0.5000000 0.0928269), wk = 0.0026455 k( 336) = ( 0.0000000 0.5000000 0.1044303), wk = 0.0026455 k( 337) = ( 0.0000000 0.5000000 0.1160337), wk = 0.0026455 k( 338) = ( 0.0000000 0.5000000 0.1276370), wk = 0.0026455 k( 339) = ( 0.0000000 0.5000000 0.1392404), wk = 0.0026455 k( 340) = ( 0.0000000 0.5000000 0.1508438), wk = 0.0026455 k( 341) = ( 0.0000000 0.5000000 0.1624472), wk = 0.0026455 k( 342) = ( 0.0000000 0.5000000 0.1740505), wk = 0.0026455 k( 343) = ( 0.0000000 0.5000000 0.1856539), wk = 0.0026455 k( 344) = ( 0.0000000 0.5000000 0.1972573), wk = 0.0026455 k( 345) = ( 0.0000000 0.5000000 0.2088606), wk = 0.0026455 k( 346) = ( 0.0000000 0.5000000 0.2204640), wk = 0.0026455 k( 347) = ( 0.0000000 0.5000000 0.2320674), wk = 0.0026455 k( 348) = ( 0.0000000 0.5000000 0.2436707), wk = 0.0026455 k( 349) = ( 0.0000000 0.5000000 0.2552741), wk = 0.0026455 k( 350) = ( 0.0000000 0.5000000 0.2668775), wk = 0.0026455 k( 351) = ( 0.0000000 0.5000000 0.2784808), wk = 0.0026455 k( 352) = ( 0.0000000 0.5000000 0.2900842), wk = 0.0026455 k( 353) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026455 k( 354) = ( 0.5000000 0.5000000 0.0116034), wk = 0.0026455 k( 355) = ( 0.5000000 0.5000000 0.0232067), wk = 0.0026455 k( 356) = ( 0.5000000 0.5000000 0.0348101), wk = 0.0026455 k( 357) = ( 0.5000000 0.5000000 0.0464135), wk = 0.0026455 k( 358) = ( 0.5000000 0.5000000 0.0580168), wk = 0.0026455 k( 359) = ( 0.5000000 0.5000000 0.0696202), wk = 0.0026455 k( 360) = ( 0.5000000 0.5000000 0.0812236), wk = 0.0026455 k( 361) = ( 0.5000000 0.5000000 0.0928269), wk = 0.0026455 k( 362) = ( 0.5000000 0.5000000 0.1044303), wk = 0.0026455 k( 363) = ( 0.5000000 0.5000000 0.1160337), wk = 0.0026455 k( 364) = ( 0.5000000 0.5000000 0.1276370), wk = 0.0026455 k( 365) = ( 0.5000000 0.5000000 0.1392404), wk = 0.0026455 k( 366) = ( 0.5000000 0.5000000 0.1508438), wk = 0.0026455 k( 367) = ( 0.5000000 0.5000000 0.1624472), wk = 0.0026455 k( 368) = ( 0.5000000 0.5000000 0.1740505), wk = 0.0026455 k( 369) = ( 0.5000000 0.5000000 0.1856539), wk = 0.0026455 k( 370) = ( 0.5000000 0.5000000 0.1972573), wk = 0.0026455 k( 371) = ( 0.5000000 0.5000000 0.2088606), wk = 0.0026455 k( 372) = ( 0.5000000 0.5000000 0.2204640), wk = 0.0026455 k( 373) = ( 0.5000000 0.5000000 0.2320674), wk = 0.0026455 k( 374) = ( 0.5000000 0.5000000 0.2436707), wk = 0.0026455 k( 375) = ( 0.5000000 0.5000000 0.2552741), wk = 0.0026455 k( 376) = ( 0.5000000 0.5000000 0.2668775), wk = 0.0026455 k( 377) = ( 0.5000000 0.5000000 0.2784808), wk = 0.0026455 k( 378) = ( 0.5000000 0.5000000 0.2900842), wk = 0.0026455 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 2) = ( 0.0000000 0.0116279 -0.0000000), wk = 0.0026455 k( 3) = ( 0.0000000 0.0232558 -0.0000000), wk = 0.0026455 k( 4) = ( 0.0000000 0.0348837 -0.0000000), wk = 0.0026455 k( 5) = ( 0.0000000 0.0465116 -0.0000000), wk = 0.0026455 k( 6) = ( 0.0000000 0.0581395 -0.0000000), wk = 0.0026455 k( 7) = ( 0.0000000 0.0697674 -0.0000000), wk = 0.0026455 k( 8) = ( 0.0000000 0.0813954 -0.0000000), wk = 0.0026455 k( 9) = ( 0.0000000 0.0930233 -0.0000000), wk = 0.0026455 k( 10) = ( 0.0000000 0.1046512 -0.0000000), wk = 0.0026455 k( 11) = ( 0.0000000 0.1162791 -0.0000000), wk = 0.0026455 k( 12) = ( 0.0000000 0.1279070 -0.0000000), wk = 0.0026455 k( 13) = ( 0.0000000 0.1395349 -0.0000000), wk = 0.0026455 k( 14) = ( 0.0000000 0.1511628 -0.0000000), wk = 0.0026455 k( 15) = ( 0.0000000 0.1627907 -0.0000000), wk = 0.0026455 k( 16) = ( 0.0000000 0.1744186 -0.0000000), wk = 0.0026455 k( 17) = ( 0.0000000 0.1860465 -0.0000000), wk = 0.0026455 k( 18) = ( 0.0000000 0.1976744 -0.0000000), wk = 0.0026455 k( 19) = ( 0.0000000 0.2093023 0.0000000), wk = 0.0026455 k( 20) = ( 0.0000000 0.2209302 -0.0000000), wk = 0.0026455 k( 21) = ( 0.0000000 0.2325581 -0.0000000), wk = 0.0026455 k( 22) = ( 0.0000000 0.2441860 -0.0000000), wk = 0.0026455 k( 23) = ( 0.0000000 0.2558140 0.0000000), wk = 0.0026455 k( 24) = ( 0.0000000 0.2674419 -0.0000000), wk = 0.0026455 k( 25) = ( 0.0000000 0.2790698 0.0000000), wk = 0.0026455 k( 26) = ( 0.0000000 0.2906977 0.0000000), wk = 0.0026455 k( 27) = ( 0.0000000 0.3023256 -0.0000000), wk = 0.0026455 k( 28) = ( 0.0000000 0.3139535 -0.0000000), wk = 0.0026455 k( 29) = ( 0.0000000 0.3255814 -0.0000000), wk = 0.0026455 k( 30) = ( 0.0000000 0.3372093 -0.0000000), wk = 0.0026455 k( 31) = ( 0.0000000 0.3488372 -0.0000000), wk = 0.0026455 k( 32) = ( 0.0000000 0.3604651 -0.0000000), wk = 0.0026455 k( 33) = ( 0.0000000 0.3720930 -0.0000000), wk = 0.0026455 k( 34) = ( 0.0000000 0.3837209 -0.0000000), wk = 0.0026455 k( 35) = ( 0.0000000 0.3953488 -0.0000000), wk = 0.0026455 k( 36) = ( 0.0000000 0.4069767 0.0000000), wk = 0.0026455 k( 37) = ( 0.0000000 0.4186047 -0.0000000), wk = 0.0026455 k( 38) = ( 0.0000000 0.4302326 0.0000000), wk = 0.0026455 k( 39) = ( 0.0000000 0.4418605 -0.0000000), wk = 0.0026455 k( 40) = ( 0.0000000 0.4534884 -0.0000000), wk = 0.0026455 k( 41) = ( 0.0000000 0.4651163 -0.0000000), wk = 0.0026455 k( 42) = ( 0.0000000 0.4767442 0.0000000), wk = 0.0026455 k( 43) = ( 0.0000000 0.4883721 -0.0000000), wk = 0.0026455 k( 44) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026455 k( 45) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026455 k( 46) = ( 0.0116279 0.5000000 -0.0000000), wk = 0.0026455 k( 47) = ( 0.0232558 0.5000000 -0.0000000), wk = 0.0026455 k( 48) = ( 0.0348837 0.5000000 -0.0000000), wk = 0.0026455 k( 49) = ( 0.0465116 0.5000000 0.0000000), wk = 0.0026455 k( 50) = ( 0.0581395 0.5000000 -0.0000000), wk = 0.0026455 k( 51) = ( 0.0697674 0.5000000 -0.0000000), wk = 0.0026455 k( 52) = ( 0.0813954 0.5000000 0.0000000), wk = 0.0026455 k( 53) = ( 0.0930233 0.5000000 0.0000000), wk = 0.0026455 k( 54) = ( 0.1046512 0.5000000 -0.0000000), wk = 0.0026455 k( 55) = ( 0.1162791 0.5000000 -0.0000000), wk = 0.0026455 k( 56) = ( 0.1279070 0.5000000 -0.0000000), wk = 0.0026455 k( 57) = ( 0.1395349 0.5000000 -0.0000000), wk = 0.0026455 k( 58) = ( 0.1511628 0.5000000 -0.0000000), wk = 0.0026455 k( 59) = ( 0.1627907 0.5000000 -0.0000000), wk = 0.0026455 k( 60) = ( 0.1744186 0.5000000 0.0000000), wk = 0.0026455 k( 61) = ( 0.1860465 0.5000000 0.0000000), wk = 0.0026455 k( 62) = ( 0.1976744 0.5000000 -0.0000000), wk = 0.0026455 k( 63) = ( 0.2093023 0.5000000 0.0000000), wk = 0.0026455 k( 64) = ( 0.2209302 0.5000000 -0.0000000), wk = 0.0026455 k( 65) = ( 0.2325581 0.5000000 0.0000000), wk = 0.0026455 k( 66) = ( 0.2441860 0.5000000 0.0000000), wk = 0.0026455 k( 67) = ( 0.2558140 0.5000000 -0.0000000), wk = 0.0026455 k( 68) = ( 0.2674419 0.5000000 0.0000000), wk = 0.0026455 k( 69) = ( 0.2790698 0.5000000 0.0000000), wk = 0.0026455 k( 70) = ( 0.2906977 0.5000000 -0.0000000), wk = 0.0026455 k( 71) = ( 0.3023256 0.5000000 -0.0000000), wk = 0.0026455 k( 72) = ( 0.3139535 0.5000000 -0.0000000), wk = 0.0026455 k( 73) = ( 0.3255814 0.5000000 -0.0000000), wk = 0.0026455 k( 74) = ( 0.3372093 0.5000000 -0.0000000), wk = 0.0026455 k( 75) = ( 0.3488372 0.5000000 -0.0000000), wk = 0.0026455 k( 76) = ( 0.3604651 0.5000000 0.0000000), wk = 0.0026455 k( 77) = ( 0.3720930 0.5000000 0.0000000), wk = 0.0026455 k( 78) = ( 0.3837209 0.5000000 0.0000000), wk = 0.0026455 k( 79) = ( 0.3953488 0.5000000 -0.0000000), wk = 0.0026455 k( 80) = ( 0.4069767 0.5000000 -0.0000000), wk = 0.0026455 k( 81) = ( 0.4186047 0.5000000 -0.0000000), wk = 0.0026455 k( 82) = ( 0.4302326 0.5000000 0.0000000), wk = 0.0026455 k( 83) = ( 0.4418605 0.5000000 0.0000000), wk = 0.0026455 k( 84) = ( 0.4534884 0.5000000 -0.0000000), wk = 0.0026455 k( 85) = ( 0.4651163 0.5000000 -0.0000000), wk = 0.0026455 k( 86) = ( 0.4767442 0.5000000 -0.0000000), wk = 0.0026455 k( 87) = ( 0.4883721 0.5000000 -0.0000000), wk = 0.0026455 k( 88) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026455 k( 89) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026455 k( 90) = ( 0.4918033 0.4918033 0.0000000), wk = 0.0026455 k( 91) = ( 0.4836066 0.4836066 0.0000000), wk = 0.0026455 k( 92) = ( 0.4754098 0.4754098 -0.0000000), wk = 0.0026455 k( 93) = ( 0.4672131 0.4672131 0.0000000), wk = 0.0026455 k( 94) = ( 0.4590164 0.4590164 0.0000000), wk = 0.0026455 k( 95) = ( 0.4508197 0.4508197 0.0000000), wk = 0.0026455 k( 96) = ( 0.4426230 0.4426230 -0.0000000), wk = 0.0026455 k( 97) = ( 0.4344262 0.4344262 0.0000000), wk = 0.0026455 k( 98) = ( 0.4262295 0.4262295 -0.0000000), wk = 0.0026455 k( 99) = ( 0.4180328 0.4180328 0.0000000), wk = 0.0026455 k( 100) = ( 0.4098361 0.4098361 0.0000000), wk = 0.0026455 k( 101) = ( 0.4016393 0.4016393 0.0000000), wk = 0.0026455 k( 102) = ( 0.3934426 0.3934426 -0.0000000), wk = 0.0026455 k( 103) = ( 0.3852459 0.3852459 0.0000000), wk = 0.0026455 k( 104) = ( 0.3770492 0.3770492 0.0000000), wk = 0.0026455 k( 105) = ( 0.3688525 0.3688525 -0.0000000), wk = 0.0026455 k( 106) = ( 0.3606557 0.3606557 -0.0000000), wk = 0.0026455 k( 107) = ( 0.3524590 0.3524590 0.0000000), wk = 0.0026455 k( 108) = ( 0.3442623 0.3442623 0.0000000), wk = 0.0026455 k( 109) = ( 0.3360656 0.3360656 -0.0000000), wk = 0.0026455 k( 110) = ( 0.3278688 0.3278688 0.0000000), wk = 0.0026455 k( 111) = ( 0.3196721 0.3196721 0.0000000), wk = 0.0026455 k( 112) = ( 0.3114754 0.3114754 -0.0000000), wk = 0.0026455 k( 113) = ( 0.3032787 0.3032787 -0.0000000), wk = 0.0026455 k( 114) = ( 0.2950820 0.2950820 -0.0000000), wk = 0.0026455 k( 115) = ( 0.2868852 0.2868852 0.0000000), wk = 0.0026455 k( 116) = ( 0.2786885 0.2786885 -0.0000000), wk = 0.0026455 k( 117) = ( 0.2704918 0.2704918 0.0000000), wk = 0.0026455 k( 118) = ( 0.2622951 0.2622951 0.0000000), wk = 0.0026455 k( 119) = ( 0.2540984 0.2540984 -0.0000000), wk = 0.0026455 k( 120) = ( 0.2459016 0.2459016 0.0000000), wk = 0.0026455 k( 121) = ( 0.2377049 0.2377049 -0.0000000), wk = 0.0026455 k( 122) = ( 0.2295082 0.2295082 0.0000000), wk = 0.0026455 k( 123) = ( 0.2213115 0.2213115 0.0000000), wk = 0.0026455 k( 124) = ( 0.2131147 0.2131147 0.0000000), wk = 0.0026455 k( 125) = ( 0.2049180 0.2049180 0.0000000), wk = 0.0026455 k( 126) = ( 0.1967213 0.1967213 -0.0000000), wk = 0.0026455 k( 127) = ( 0.1885246 0.1885246 0.0000000), wk = 0.0026455 k( 128) = ( 0.1803279 0.1803279 -0.0000000), wk = 0.0026455 k( 129) = ( 0.1721312 0.1721312 0.0000000), wk = 0.0026455 k( 130) = ( 0.1639344 0.1639344 -0.0000000), wk = 0.0026455 k( 131) = ( 0.1557377 0.1557377 -0.0000000), wk = 0.0026455 k( 132) = ( 0.1475410 0.1475410 0.0000000), wk = 0.0026455 k( 133) = ( 0.1393443 0.1393443 -0.0000000), wk = 0.0026455 k( 134) = ( 0.1311475 0.1311475 0.0000000), wk = 0.0026455 k( 135) = ( 0.1229508 0.1229508 0.0000000), wk = 0.0026455 k( 136) = ( 0.1147541 0.1147541 0.0000000), wk = 0.0026455 k( 137) = ( 0.1065574 0.1065574 0.0000000), wk = 0.0026455 k( 138) = ( 0.0983607 0.0983607 0.0000000), wk = 0.0026455 k( 139) = ( 0.0901639 0.0901639 0.0000000), wk = 0.0026455 k( 140) = ( 0.0819672 0.0819672 0.0000000), wk = 0.0026455 k( 141) = ( 0.0737705 0.0737705 0.0000000), wk = 0.0026455 k( 142) = ( 0.0655738 0.0655738 0.0000000), wk = 0.0026455 k( 143) = ( 0.0573770 0.0573770 0.0000000), wk = 0.0026455 k( 144) = ( 0.0491803 0.0491803 0.0000000), wk = 0.0026455 k( 145) = ( 0.0409836 0.0409836 -0.0000000), wk = 0.0026455 k( 146) = ( 0.0327869 0.0327869 0.0000000), wk = 0.0026455 k( 147) = ( 0.0245902 0.0245902 -0.0000000), wk = 0.0026455 k( 148) = ( 0.0163934 0.0163934 -0.0000000), wk = 0.0026455 k( 149) = ( 0.0081967 0.0081967 -0.0000000), wk = 0.0026455 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 152) = ( 0.0000000 0.0000000 0.0200000), wk = 0.0026455 k( 153) = ( 0.0000000 0.0000000 0.0400000), wk = 0.0026455 k( 154) = ( 0.0000000 0.0000000 0.0600000), wk = 0.0026455 k( 155) = ( 0.0000000 0.0000000 0.0800000), wk = 0.0026455 k( 156) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0026455 k( 157) = ( 0.0000000 0.0000000 0.1200000), wk = 0.0026455 k( 158) = ( 0.0000000 0.0000000 0.1400000), wk = 0.0026455 k( 159) = ( 0.0000000 0.0000000 0.1600000), wk = 0.0026455 k( 160) = ( 0.0000000 0.0000000 0.1800000), wk = 0.0026455 k( 161) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0026455 k( 162) = ( 0.0000000 0.0000000 0.2200000), wk = 0.0026455 k( 163) = ( 0.0000000 0.0000000 0.2400000), wk = 0.0026455 k( 164) = ( 0.0000000 0.0000000 0.2600000), wk = 0.0026455 k( 165) = ( 0.0000000 0.0000000 0.2800000), wk = 0.0026455 k( 166) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0026455 k( 167) = ( 0.0000000 0.0000000 0.3200000), wk = 0.0026455 k( 168) = ( 0.0000000 0.0000000 0.3400000), wk = 0.0026455 k( 169) = ( 0.0000000 0.0000000 0.3600000), wk = 0.0026455 k( 170) = ( 0.0000000 0.0000000 0.3800000), wk = 0.0026455 k( 171) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0026455 k( 172) = ( 0.0000000 0.0000000 0.4200000), wk = 0.0026455 k( 173) = ( 0.0000000 0.0000000 0.4400000), wk = 0.0026455 k( 174) = ( 0.0000000 0.0000000 0.4600000), wk = 0.0026455 k( 175) = ( 0.0000000 0.0000000 0.4800000), wk = 0.0026455 k( 176) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026455 k( 177) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026455 k( 178) = ( 0.0000000 0.0116279 0.5000000), wk = 0.0026455 k( 179) = ( 0.0000000 0.0232558 0.5000000), wk = 0.0026455 k( 180) = ( 0.0000000 0.0348837 0.5000000), wk = 0.0026455 k( 181) = ( 0.0000000 0.0465116 0.5000000), wk = 0.0026455 k( 182) = ( 0.0000000 0.0581395 0.5000000), wk = 0.0026455 k( 183) = ( 0.0000000 0.0697674 0.5000000), wk = 0.0026455 k( 184) = ( 0.0000000 0.0813954 0.5000000), wk = 0.0026455 k( 185) = ( 0.0000000 0.0930233 0.5000000), wk = 0.0026455 k( 186) = ( 0.0000000 0.1046512 0.5000000), wk = 0.0026455 k( 187) = ( 0.0000000 0.1162791 0.5000000), wk = 0.0026455 k( 188) = ( 0.0000000 0.1279070 0.5000000), wk = 0.0026455 k( 189) = ( 0.0000000 0.1395349 0.5000000), wk = 0.0026455 k( 190) = ( 0.0000000 0.1511628 0.5000000), wk = 0.0026455 k( 191) = ( 0.0000000 0.1627907 0.5000000), wk = 0.0026455 k( 192) = ( 0.0000000 0.1744186 0.5000000), wk = 0.0026455 k( 193) = ( 0.0000000 0.1860465 0.5000000), wk = 0.0026455 k( 194) = ( 0.0000000 0.1976744 0.5000000), wk = 0.0026455 k( 195) = ( 0.0000000 0.2093023 0.5000000), wk = 0.0026455 k( 196) = ( 0.0000000 0.2209302 0.5000000), wk = 0.0026455 k( 197) = ( 0.0000000 0.2325581 0.5000000), wk = 0.0026455 k( 198) = ( 0.0000000 0.2441860 0.5000000), wk = 0.0026455 k( 199) = ( 0.0000000 0.2558140 0.5000000), wk = 0.0026455 k( 200) = ( 0.0000000 0.2674419 0.5000000), wk = 0.0026455 k( 201) = ( 0.0000000 0.2790698 0.5000000), wk = 0.0026455 k( 202) = ( 0.0000000 0.2906977 0.5000000), wk = 0.0026455 k( 203) = ( 0.0000000 0.3023256 0.5000000), wk = 0.0026455 k( 204) = ( 0.0000000 0.3139535 0.5000000), wk = 0.0026455 k( 205) = ( 0.0000000 0.3255814 0.5000000), wk = 0.0026455 k( 206) = ( 0.0000000 0.3372093 0.5000000), wk = 0.0026455 k( 207) = ( 0.0000000 0.3488372 0.5000000), wk = 0.0026455 k( 208) = ( 0.0000000 0.3604651 0.5000000), wk = 0.0026455 k( 209) = ( 0.0000000 0.3720930 0.5000000), wk = 0.0026455 k( 210) = ( 0.0000000 0.3837209 0.5000000), wk = 0.0026455 k( 211) = ( 0.0000000 0.3953488 0.5000000), wk = 0.0026455 k( 212) = ( 0.0000000 0.4069767 0.5000000), wk = 0.0026455 k( 213) = ( 0.0000000 0.4186047 0.5000000), wk = 0.0026455 k( 214) = ( 0.0000000 0.4302326 0.5000000), wk = 0.0026455 k( 215) = ( 0.0000000 0.4418605 0.5000000), wk = 0.0026455 k( 216) = ( 0.0000000 0.4534884 0.5000000), wk = 0.0026455 k( 217) = ( 0.0000000 0.4651163 0.5000000), wk = 0.0026455 k( 218) = ( 0.0000000 0.4767442 0.5000000), wk = 0.0026455 k( 219) = ( 0.0000000 0.4883721 0.5000000), wk = 0.0026455 k( 220) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026455 k( 221) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026455 k( 222) = ( 0.0116279 0.5000000 0.5000000), wk = 0.0026455 k( 223) = ( 0.0232558 0.5000000 0.5000000), wk = 0.0026455 k( 224) = ( 0.0348837 0.5000000 0.5000000), wk = 0.0026455 k( 225) = ( 0.0465116 0.5000000 0.5000000), wk = 0.0026455 k( 226) = ( 0.0581395 0.5000000 0.5000000), wk = 0.0026455 k( 227) = ( 0.0697674 0.5000000 0.5000000), wk = 0.0026455 k( 228) = ( 0.0813954 0.5000000 0.5000000), wk = 0.0026455 k( 229) = ( 0.0930233 0.5000000 0.5000000), wk = 0.0026455 k( 230) = ( 0.1046512 0.5000000 0.5000000), wk = 0.0026455 k( 231) = ( 0.1162791 0.5000000 0.5000000), wk = 0.0026455 k( 232) = ( 0.1279070 0.5000000 0.5000000), wk = 0.0026455 k( 233) = ( 0.1395349 0.5000000 0.5000000), wk = 0.0026455 k( 234) = ( 0.1511628 0.5000000 0.5000000), wk = 0.0026455 k( 235) = ( 0.1627907 0.5000000 0.5000000), wk = 0.0026455 k( 236) = ( 0.1744186 0.5000000 0.5000000), wk = 0.0026455 k( 237) = ( 0.1860465 0.5000000 0.5000000), wk = 0.0026455 k( 238) = ( 0.1976744 0.5000000 0.5000000), wk = 0.0026455 k( 239) = ( 0.2093023 0.5000000 0.5000000), wk = 0.0026455 k( 240) = ( 0.2209302 0.5000000 0.5000000), wk = 0.0026455 k( 241) = ( 0.2325581 0.5000000 0.5000000), wk = 0.0026455 k( 242) = ( 0.2441860 0.5000000 0.5000000), wk = 0.0026455 k( 243) = ( 0.2558140 0.5000000 0.5000000), wk = 0.0026455 k( 244) = ( 0.2674419 0.5000000 0.5000000), wk = 0.0026455 k( 245) = ( 0.2790698 0.5000000 0.5000000), wk = 0.0026455 k( 246) = ( 0.2906977 0.5000000 0.5000000), wk = 0.0026455 k( 247) = ( 0.3023256 0.5000000 0.5000000), wk = 0.0026455 k( 248) = ( 0.3139535 0.5000000 0.5000000), wk = 0.0026455 k( 249) = ( 0.3255814 0.5000000 0.5000000), wk = 0.0026455 k( 250) = ( 0.3372093 0.5000000 0.5000000), wk = 0.0026455 k( 251) = ( 0.3488372 0.5000000 0.5000000), wk = 0.0026455 k( 252) = ( 0.3604651 0.5000000 0.5000000), wk = 0.0026455 k( 253) = ( 0.3720930 0.5000000 0.5000000), wk = 0.0026455 k( 254) = ( 0.3837209 0.5000000 0.5000000), wk = 0.0026455 k( 255) = ( 0.3953488 0.5000000 0.5000000), wk = 0.0026455 k( 256) = ( 0.4069767 0.5000000 0.5000000), wk = 0.0026455 k( 257) = ( 0.4186047 0.5000000 0.5000000), wk = 0.0026455 k( 258) = ( 0.4302326 0.5000000 0.5000000), wk = 0.0026455 k( 259) = ( 0.4418605 0.5000000 0.5000000), wk = 0.0026455 k( 260) = ( 0.4534884 0.5000000 0.5000000), wk = 0.0026455 k( 261) = ( 0.4651163 0.5000000 0.5000000), wk = 0.0026455 k( 262) = ( 0.4767442 0.5000000 0.5000000), wk = 0.0026455 k( 263) = ( 0.4883721 0.5000000 0.5000000), wk = 0.0026455 k( 264) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026455 k( 265) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026455 k( 266) = ( 0.4918033 0.4918033 0.5000000), wk = 0.0026455 k( 267) = ( 0.4836066 0.4836066 0.5000000), wk = 0.0026455 k( 268) = ( 0.4754098 0.4754098 0.5000000), wk = 0.0026455 k( 269) = ( 0.4672131 0.4672131 0.5000000), wk = 0.0026455 k( 270) = ( 0.4590164 0.4590164 0.5000000), wk = 0.0026455 k( 271) = ( 0.4508197 0.4508197 0.5000000), wk = 0.0026455 k( 272) = ( 0.4426230 0.4426230 0.5000000), wk = 0.0026455 k( 273) = ( 0.4344262 0.4344262 0.5000000), wk = 0.0026455 k( 274) = ( 0.4262295 0.4262295 0.5000000), wk = 0.0026455 k( 275) = ( 0.4180328 0.4180328 0.5000000), wk = 0.0026455 k( 276) = ( 0.4098361 0.4098361 0.5000000), wk = 0.0026455 k( 277) = ( 0.4016393 0.4016393 0.5000000), wk = 0.0026455 k( 278) = ( 0.3934426 0.3934426 0.5000000), wk = 0.0026455 k( 279) = ( 0.3852459 0.3852459 0.5000000), wk = 0.0026455 k( 280) = ( 0.3770492 0.3770492 0.5000000), wk = 0.0026455 k( 281) = ( 0.3688525 0.3688525 0.5000000), wk = 0.0026455 k( 282) = ( 0.3606557 0.3606557 0.5000000), wk = 0.0026455 k( 283) = ( 0.3524590 0.3524590 0.5000000), wk = 0.0026455 k( 284) = ( 0.3442623 0.3442623 0.5000000), wk = 0.0026455 k( 285) = ( 0.3360656 0.3360656 0.5000000), wk = 0.0026455 k( 286) = ( 0.3278688 0.3278688 0.5000000), wk = 0.0026455 k( 287) = ( 0.3196721 0.3196721 0.5000000), wk = 0.0026455 k( 288) = ( 0.3114754 0.3114754 0.5000000), wk = 0.0026455 k( 289) = ( 0.3032787 0.3032787 0.5000000), wk = 0.0026455 k( 290) = ( 0.2950820 0.2950820 0.5000000), wk = 0.0026455 k( 291) = ( 0.2868852 0.2868852 0.5000000), wk = 0.0026455 k( 292) = ( 0.2786885 0.2786885 0.5000000), wk = 0.0026455 k( 293) = ( 0.2704918 0.2704918 0.5000000), wk = 0.0026455 k( 294) = ( 0.2622951 0.2622951 0.5000000), wk = 0.0026455 k( 295) = ( 0.2540984 0.2540984 0.5000000), wk = 0.0026455 k( 296) = ( 0.2459016 0.2459016 0.5000000), wk = 0.0026455 k( 297) = ( 0.2377049 0.2377049 0.5000000), wk = 0.0026455 k( 298) = ( 0.2295082 0.2295082 0.5000000), wk = 0.0026455 k( 299) = ( 0.2213115 0.2213115 0.5000000), wk = 0.0026455 k( 300) = ( 0.2131147 0.2131147 0.5000000), wk = 0.0026455 k( 301) = ( 0.2049180 0.2049180 0.5000000), wk = 0.0026455 k( 302) = ( 0.1967213 0.1967213 0.5000000), wk = 0.0026455 k( 303) = ( 0.1885246 0.1885246 0.5000000), wk = 0.0026455 k( 304) = ( 0.1803279 0.1803279 0.5000000), wk = 0.0026455 k( 305) = ( 0.1721312 0.1721312 0.5000000), wk = 0.0026455 k( 306) = ( 0.1639344 0.1639344 0.5000000), wk = 0.0026455 k( 307) = ( 0.1557377 0.1557377 0.5000000), wk = 0.0026455 k( 308) = ( 0.1475410 0.1475410 0.5000000), wk = 0.0026455 k( 309) = ( 0.1393443 0.1393443 0.5000000), wk = 0.0026455 k( 310) = ( 0.1311475 0.1311475 0.5000000), wk = 0.0026455 k( 311) = ( 0.1229508 0.1229508 0.5000000), wk = 0.0026455 k( 312) = ( 0.1147541 0.1147541 0.5000000), wk = 0.0026455 k( 313) = ( 0.1065574 0.1065574 0.5000000), wk = 0.0026455 k( 314) = ( 0.0983607 0.0983607 0.5000000), wk = 0.0026455 k( 315) = ( 0.0901639 0.0901639 0.5000000), wk = 0.0026455 k( 316) = ( 0.0819672 0.0819672 0.5000000), wk = 0.0026455 k( 317) = ( 0.0737705 0.0737705 0.5000000), wk = 0.0026455 k( 318) = ( 0.0655738 0.0655738 0.5000000), wk = 0.0026455 k( 319) = ( 0.0573770 0.0573770 0.5000000), wk = 0.0026455 k( 320) = ( 0.0491803 0.0491803 0.5000000), wk = 0.0026455 k( 321) = ( 0.0409836 0.0409836 0.5000000), wk = 0.0026455 k( 322) = ( 0.0327869 0.0327869 0.5000000), wk = 0.0026455 k( 323) = ( 0.0245902 0.0245902 0.5000000), wk = 0.0026455 k( 324) = ( 0.0163934 0.0163934 0.5000000), wk = 0.0026455 k( 325) = ( 0.0081967 0.0081967 0.5000000), wk = 0.0026455 k( 326) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026455 k( 327) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026455 k( 328) = ( 0.0000000 0.5000000 0.0200000), wk = 0.0026455 k( 329) = ( 0.0000000 0.5000000 0.0400000), wk = 0.0026455 k( 330) = ( 0.0000000 0.5000000 0.0600000), wk = 0.0026455 k( 331) = ( 0.0000000 0.5000000 0.0800000), wk = 0.0026455 k( 332) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0026455 k( 333) = ( 0.0000000 0.5000000 0.1200000), wk = 0.0026455 k( 334) = ( 0.0000000 0.5000000 0.1400000), wk = 0.0026455 k( 335) = ( 0.0000000 0.5000000 0.1600000), wk = 0.0026455 k( 336) = ( 0.0000000 0.5000000 0.1800000), wk = 0.0026455 k( 337) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0026455 k( 338) = ( 0.0000000 0.5000000 0.2200000), wk = 0.0026455 k( 339) = ( 0.0000000 0.5000000 0.2400000), wk = 0.0026455 k( 340) = ( 0.0000000 0.5000000 0.2600000), wk = 0.0026455 k( 341) = ( 0.0000000 0.5000000 0.2800000), wk = 0.0026455 k( 342) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0026455 k( 343) = ( 0.0000000 0.5000000 0.3200000), wk = 0.0026455 k( 344) = ( 0.0000000 0.5000000 0.3400000), wk = 0.0026455 k( 345) = ( 0.0000000 0.5000000 0.3600000), wk = 0.0026455 k( 346) = ( 0.0000000 0.5000000 0.3800000), wk = 0.0026455 k( 347) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0026455 k( 348) = ( 0.0000000 0.5000000 0.4200000), wk = 0.0026455 k( 349) = ( 0.0000000 0.5000000 0.4400000), wk = 0.0026455 k( 350) = ( 0.0000000 0.5000000 0.4600000), wk = 0.0026455 k( 351) = ( 0.0000000 0.5000000 0.4800000), wk = 0.0026455 k( 352) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026455 k( 353) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026455 k( 354) = ( 0.5000000 0.5000000 0.0200000), wk = 0.0026455 k( 355) = ( 0.5000000 0.5000000 0.0400000), wk = 0.0026455 k( 356) = ( 0.5000000 0.5000000 0.0600000), wk = 0.0026455 k( 357) = ( 0.5000000 0.5000000 0.0800000), wk = 0.0026455 k( 358) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0026455 k( 359) = ( 0.5000000 0.5000000 0.1200000), wk = 0.0026455 k( 360) = ( 0.5000000 0.5000000 0.1400000), wk = 0.0026455 k( 361) = ( 0.5000000 0.5000000 0.1600000), wk = 0.0026455 k( 362) = ( 0.5000000 0.5000000 0.1800000), wk = 0.0026455 k( 363) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0026455 k( 364) = ( 0.5000000 0.5000000 0.2200000), wk = 0.0026455 k( 365) = ( 0.5000000 0.5000000 0.2400000), wk = 0.0026455 k( 366) = ( 0.5000000 0.5000000 0.2600000), wk = 0.0026455 k( 367) = ( 0.5000000 0.5000000 0.2800000), wk = 0.0026455 k( 368) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0026455 k( 369) = ( 0.5000000 0.5000000 0.3200000), wk = 0.0026455 k( 370) = ( 0.5000000 0.5000000 0.3400000), wk = 0.0026455 k( 371) = ( 0.5000000 0.5000000 0.3600000), wk = 0.0026455 k( 372) = ( 0.5000000 0.5000000 0.3800000), wk = 0.0026455 k( 373) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0026455 k( 374) = ( 0.5000000 0.5000000 0.4200000), wk = 0.0026455 k( 375) = ( 0.5000000 0.5000000 0.4400000), wk = 0.0026455 k( 376) = ( 0.5000000 0.5000000 0.4600000), wk = 0.0026455 k( 377) = ( 0.5000000 0.5000000 0.4800000), wk = 0.0026455 k( 378) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026455 Dense grid: 54347 G-vectors FFT dimensions: ( 40, 40, 72) Smooth grid: 27117 G-vectors FFT dimensions: ( 32, 32, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.15 Mb ( 200, 48) NL pseudopotentials 0.19 Mb ( 100, 124) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 1514) G-vector shells 0.01 Mb ( 687) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.59 Mb ( 200, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.18 Mb ( 124, 2, 48) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./RbAlF4.save/charge-density.dat Starting wfc are 56 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 2.7 secs Computing kpt #: 3 total cpu time spent up to now is 3.0 secs Computing kpt #: 4 total cpu time spent up to now is 3.3 secs Computing kpt #: 5 total cpu time spent up to now is 3.6 secs Computing kpt #: 6 total cpu time spent up to now is 3.9 secs Computing kpt #: 7 total cpu time spent up to now is 4.2 secs Computing kpt #: 8 total cpu time spent up to now is 4.4 secs Computing kpt #: 9 total cpu time spent up to now is 4.7 secs Computing kpt #: 10 total cpu time spent up to now is 5.0 secs Computing kpt #: 11 total cpu time spent up to now is 5.3 secs Computing kpt #: 12 total cpu time spent up to now is 5.6 secs Computing kpt #: 13 total cpu time spent up to now is 5.8 secs Computing kpt #: 14 total cpu time spent up to now is 6.1 secs Computing kpt #: 15 total cpu time spent up to now is 6.3 secs Computing kpt #: 16 total cpu time spent up to now is 6.6 secs Computing kpt #: 17 total cpu time spent up to now is 6.8 secs Computing kpt #: 18 total cpu time spent up to now is 7.1 secs Computing kpt #: 19 total cpu time spent up to now is 7.3 secs Computing kpt #: 20 total cpu time spent up to now is 7.6 secs Computing kpt #: 21 total cpu time spent up to now is 7.8 secs Computing kpt #: 22 total cpu time spent up to now is 8.1 secs Computing kpt #: 23 total cpu time spent up to now is 8.3 secs Computing kpt #: 24 total cpu time spent up to now is 8.6 secs Computing kpt #: 25 total cpu time spent up to now is 8.8 secs Computing kpt #: 26 total cpu time spent up to now is 9.1 secs Computing kpt #: 27 total cpu time spent up to now is 9.3 secs Computing kpt #: 28 total cpu time spent up to now is 9.6 secs Computing kpt #: 29 total cpu time spent up to now is 9.8 secs Computing kpt #: 30 total cpu time spent up to now is 10.1 secs Computing kpt #: 31 total cpu time spent up to now is 10.3 secs Computing kpt #: 32 total cpu time spent up to now is 10.6 secs Computing kpt #: 33 total cpu time spent up to now is 10.8 secs Computing kpt #: 34 total cpu time spent up to now is 11.0 secs Computing kpt #: 35 total cpu time spent up to now is 11.3 secs Computing kpt #: 36 total cpu time spent up to now is 11.5 secs Computing kpt #: 37 total cpu time spent up to now is 11.8 secs Computing kpt #: 38 total cpu time spent up to now is 12.0 secs Computing kpt #: 39 total cpu time spent up to now is 12.2 secs Computing kpt #: 40 total cpu time spent up to now is 12.5 secs Computing kpt #: 41 total cpu time spent up to now is 12.7 secs Computing kpt #: 42 total cpu time spent up to now is 12.9 secs Computing kpt #: 43 total cpu time spent up to now is 13.2 secs Computing kpt #: 44 total cpu time spent up to now is 13.4 secs Computing kpt #: 45 total cpu time spent up to now is 13.7 secs Computing kpt #: 46 total cpu time spent up to now is 13.9 secs Computing kpt #: 47 total cpu time spent up to now is 14.2 secs Computing kpt #: 48 total cpu time spent up to now is 14.4 secs Computing kpt #: 49 total cpu time spent up to now is 14.6 secs Computing kpt #: 50 total cpu time spent up to now is 14.9 secs Computing kpt #: 51 total cpu time spent up to now is 15.1 secs Computing kpt #: 52 total cpu time spent up to now is 15.4 secs Computing kpt #: 53 total cpu time spent up to now is 15.6 secs Computing kpt #: 54 total cpu time spent up to now is 15.9 secs Computing kpt #: 55 total cpu time spent up to now is 16.1 secs Computing kpt #: 56 total cpu time spent up to now is 16.4 secs Computing kpt #: 57 total cpu time spent up to now is 16.7 secs Computing kpt #: 58 total cpu time spent up to now is 16.9 secs Computing kpt #: 59 total cpu time spent up to now is 17.2 secs Computing kpt #: 60 total cpu time spent up to now is 17.4 secs Computing kpt #: 61 total cpu time spent up to now is 17.7 secs Computing kpt #: 62 total cpu time spent up to now is 18.0 secs Computing kpt #: 63 total cpu time spent up to now is 18.2 secs Computing kpt #: 64 total cpu time spent up to now is 18.5 secs Computing kpt #: 65 total cpu time spent up to now is 18.8 secs Computing kpt #: 66 total cpu time spent up to now is 19.1 secs Computing kpt #: 67 total cpu time spent up to now is 19.4 secs Computing kpt #: 68 total cpu time spent up to now is 19.7 secs Computing kpt #: 69 total cpu time spent up to now is 20.0 secs Computing kpt #: 70 total cpu time spent up to now is 20.3 secs Computing kpt #: 71 total cpu time spent up to now is 20.6 secs Computing kpt #: 72 total cpu time spent up to now is 20.9 secs Computing kpt #: 73 total cpu time spent up to now is 21.1 secs Computing kpt #: 74 total cpu time spent up to now is 21.4 secs Computing kpt #: 75 total cpu time spent up to now is 21.7 secs Computing kpt #: 76 total cpu time spent up to now is 21.9 secs Computing kpt #: 77 total cpu time spent up to now is 22.2 secs Computing kpt #: 78 total cpu time spent up to now is 22.4 secs Computing kpt #: 79 total cpu time spent up to now is 22.7 secs Computing kpt #: 80 total cpu time spent up to now is 22.9 secs Computing kpt #: 81 total cpu time spent up to now is 23.2 secs Computing kpt #: 82 total cpu time spent up to now is 23.4 secs Computing kpt #: 83 total cpu time spent up to now is 23.7 secs Computing kpt #: 84 total cpu time spent up to now is 23.9 secs Computing kpt #: 85 total cpu time spent up to now is 24.2 secs Computing kpt #: 86 total cpu time spent up to now is 24.4 secs Computing kpt #: 87 total cpu time spent up to now is 24.7 secs Computing kpt #: 88 total cpu time spent up to now is 25.0 secs Computing kpt #: 89 total cpu time spent up to now is 25.3 secs Computing kpt #: 90 total cpu time spent up to now is 25.5 secs Computing kpt #: 91 total cpu time spent up to now is 25.8 secs Computing kpt #: 92 total cpu time spent up to now is 26.0 secs Computing kpt #: 93 total cpu time spent up to now is 26.3 secs Computing kpt #: 94 total cpu time spent up to now is 26.5 secs Computing kpt #: 95 total cpu time spent up to now is 26.8 secs Computing kpt #: 96 total cpu time spent up to now is 27.1 secs Computing kpt #: 97 total cpu time spent up to now is 27.3 secs Computing kpt #: 98 total cpu time spent up to now is 27.6 secs Computing kpt #: 99 total cpu time spent up to now is 27.9 secs Computing kpt #: 100 total cpu time spent up to now is 28.1 secs Computing kpt #: 101 total cpu time spent up to now is 28.4 secs Computing kpt #: 102 total cpu time spent up to now is 28.6 secs Computing kpt #: 103 total cpu time spent up to now is 28.9 secs Computing kpt #: 104 total cpu time spent up to now is 29.2 secs Computing kpt #: 105 total cpu time spent up to now is 29.5 secs Computing kpt #: 106 total cpu time spent up to now is 29.7 secs Computing kpt #: 107 total cpu time spent up to now is 30.0 secs Computing kpt #: 108 total cpu time spent up to now is 30.3 secs Computing kpt #: 109 total cpu time spent up to now is 30.6 secs Computing kpt #: 110 total cpu time spent up to now is 30.9 secs Computing kpt #: 111 total cpu time spent up to now is 31.2 secs Computing kpt #: 112 total cpu time spent up to now is 31.6 secs Computing kpt #: 113 total cpu time spent up to now is 31.9 secs Computing kpt #: 114 total cpu time spent up to now is 32.2 secs Computing kpt #: 115 total cpu time spent up to now is 32.5 secs Computing kpt #: 116 total cpu time spent up to now is 32.8 secs Computing kpt #: 117 total cpu time spent up to now is 33.1 secs Computing kpt #: 118 total cpu time spent up to now is 33.4 secs Computing kpt #: 119 total cpu time spent up to now is 33.6 secs Computing kpt #: 120 total cpu time spent up to now is 36.8 secs Computing kpt #: 121 total cpu time spent up to now is 37.1 secs Computing kpt #: 122 total cpu time spent up to now is 37.3 secs Computing kpt #: 123 total cpu time spent up to now is 37.6 secs Computing kpt #: 124 total cpu time spent up to now is 37.9 secs Computing kpt #: 125 total cpu time spent up to now is 38.1 secs Computing kpt #: 126 total cpu time spent up to now is 38.4 secs Computing kpt #: 127 total cpu time spent up to now is 38.6 secs Computing kpt #: 128 total cpu time spent up to now is 38.9 secs Computing kpt #: 129 total cpu time spent up to now is 39.1 secs Computing kpt #: 130 total cpu time spent up to now is 39.4 secs Computing kpt #: 131 total cpu time spent up to now is 39.6 secs Computing kpt #: 132 total cpu time spent up to now is 39.9 secs Computing kpt #: 133 total cpu time spent up to now is 40.1 secs Computing kpt #: 134 total cpu time spent up to now is 40.4 secs Computing kpt #: 135 total cpu time spent up to now is 40.6 secs Computing kpt #: 136 total cpu time spent up to now is 40.9 secs Computing kpt #: 137 total cpu time spent up to now is 41.2 secs Computing kpt #: 138 total cpu time spent up to now is 41.5 secs Computing kpt #: 139 total cpu time spent up to now is 41.8 secs Computing kpt #: 140 total cpu time spent up to now is 42.1 secs Computing kpt #: 141 total cpu time spent up to now is 42.4 secs Computing kpt #: 142 total cpu time spent up to now is 42.7 secs Computing kpt #: 143 total cpu time spent up to now is 43.0 secs Computing kpt #: 144 total cpu time spent up to now is 43.3 secs Computing kpt #: 145 total cpu time spent up to now is 43.6 secs Computing kpt #: 146 total cpu time spent up to now is 43.9 secs Computing kpt #: 147 total cpu time spent up to now is 44.2 secs Computing kpt #: 148 total cpu time spent up to now is 44.4 secs Computing kpt #: 149 total cpu time spent up to now is 44.7 secs Computing kpt #: 150 total cpu time spent up to now is 45.0 secs Computing kpt #: 151 total cpu time spent up to now is 45.2 secs Computing kpt #: 152 total cpu time spent up to now is 45.5 secs Computing kpt #: 153 total cpu time spent up to now is 45.7 secs Computing kpt #: 154 total cpu time spent up to now is 46.0 secs Computing kpt #: 155 total cpu time spent up to now is 46.2 secs Computing kpt #: 156 total cpu time spent up to now is 46.4 secs Computing kpt #: 157 total cpu time spent up to now is 46.7 secs Computing kpt #: 158 total cpu time spent up to now is 46.9 secs Computing kpt #: 159 total cpu time spent up to now is 47.2 secs Computing kpt #: 160 total cpu time spent up to now is 47.4 secs Computing kpt #: 161 total cpu time spent up to now is 47.7 secs Computing kpt #: 162 total cpu time spent up to now is 47.9 secs Computing kpt #: 163 total cpu time spent up to now is 48.1 secs Computing kpt #: 164 total cpu time spent up to now is 48.4 secs Computing kpt #: 165 total cpu time spent up to now is 48.6 secs Computing kpt #: 166 total cpu time spent up to now is 48.8 secs Computing kpt #: 167 total cpu time spent up to now is 49.1 secs Computing kpt #: 168 total cpu time spent up to now is 49.3 secs Computing kpt #: 169 total cpu time spent up to now is 49.5 secs Computing kpt #: 170 total cpu time spent up to now is 49.8 secs Computing kpt #: 171 total cpu time spent up to now is 50.0 secs Computing kpt #: 172 total cpu time spent up to now is 50.2 secs Computing kpt #: 173 total cpu time spent up to now is 50.4 secs Computing kpt #: 174 total cpu time spent up to now is 50.7 secs Computing kpt #: 175 total cpu time spent up to now is 50.9 secs Computing kpt #: 176 total cpu time spent up to now is 51.1 secs Computing kpt #: 177 total cpu time spent up to now is 51.3 secs Computing kpt #: 178 total cpu time spent up to now is 51.6 secs Computing kpt #: 179 total cpu time spent up to now is 51.8 secs Computing kpt #: 180 total cpu time spent up to now is 52.0 secs Computing kpt #: 181 total cpu time spent up to now is 52.2 secs Computing kpt #: 182 total cpu time spent up to now is 52.5 secs Computing kpt #: 183 total cpu time spent up to now is 52.7 secs Computing kpt #: 184 total cpu time spent up to now is 52.9 secs Computing kpt #: 185 total cpu time spent up to now is 53.2 secs Computing kpt #: 186 total cpu time spent up to now is 53.4 secs Computing kpt #: 187 total cpu time spent up to now is 53.6 secs Computing kpt #: 188 total cpu time spent up to now is 53.9 secs Computing kpt #: 189 total cpu time spent up to now is 54.1 secs Computing kpt #: 190 total cpu time spent up to now is 54.4 secs Computing kpt #: 191 total cpu time spent up to now is 54.7 secs Computing kpt #: 192 total cpu time spent up to now is 54.9 secs Computing kpt #: 193 total cpu time spent up to now is 55.2 secs Computing kpt #: 194 total cpu time spent up to now is 55.5 secs Computing kpt #: 195 total cpu time spent up to now is 55.8 secs Computing kpt #: 196 total cpu time spent up to now is 56.1 secs Computing kpt #: 197 total cpu time spent up to now is 56.3 secs Computing kpt #: 198 total cpu time spent up to now is 56.6 secs Computing kpt #: 199 total cpu time spent up to now is 56.9 secs Computing kpt #: 200 total cpu time spent up to now is 57.2 secs Computing kpt #: 201 total cpu time spent up to now is 57.5 secs Computing kpt #: 202 total cpu time spent up to now is 57.8 secs Computing kpt #: 203 total cpu time spent up to now is 58.1 secs Computing kpt #: 204 total cpu time spent up to now is 58.4 secs Computing kpt #: 205 total cpu time spent up to now is 58.8 secs Computing kpt #: 206 total cpu time spent up to now is 59.0 secs Computing kpt #: 207 total cpu time spent up to now is 59.3 secs Computing kpt #: 208 total cpu time spent up to now is 59.6 secs Computing kpt #: 209 total cpu time spent up to now is 59.9 secs Computing kpt #: 210 total cpu time spent up to now is 60.1 secs Computing kpt #: 211 total cpu time spent up to now is 60.4 secs Computing kpt #: 212 total cpu time spent up to now is 60.7 secs Computing kpt #: 213 total cpu time spent up to now is 60.9 secs Computing kpt #: 214 total cpu time spent up to now is 61.2 secs Computing kpt #: 215 total cpu time spent up to now is 61.5 secs Computing kpt #: 216 total cpu time spent up to now is 61.7 secs Computing kpt #: 217 total cpu time spent up to now is 62.0 secs Computing kpt #: 218 total cpu time spent up to now is 62.3 secs Computing kpt #: 219 total cpu time spent up to now is 62.5 secs Computing kpt #: 220 total cpu time spent up to now is 62.8 secs Computing kpt #: 221 total cpu time spent up to now is 63.0 secs Computing kpt #: 222 total cpu time spent up to now is 63.3 secs Computing kpt #: 223 total cpu time spent up to now is 63.5 secs Computing kpt #: 224 total cpu time spent up to now is 63.8 secs Computing kpt #: 225 total cpu time spent up to now is 64.1 secs Computing kpt #: 226 total cpu time spent up to now is 64.3 secs Computing kpt #: 227 total cpu time spent up to now is 64.6 secs Computing kpt #: 228 total cpu time spent up to now is 64.9 secs Computing kpt #: 229 total cpu time spent up to now is 65.1 secs Computing kpt #: 230 total cpu time spent up to now is 65.4 secs Computing kpt #: 231 total cpu time spent up to now is 65.7 secs Computing kpt #: 232 total cpu time spent up to now is 66.0 secs Computing kpt #: 233 total cpu time spent up to now is 66.3 secs Computing kpt #: 234 total cpu time spent up to now is 66.6 secs Computing kpt #: 235 total cpu time spent up to now is 66.9 secs Computing kpt #: 236 total cpu time spent up to now is 67.2 secs Computing kpt #: 237 total cpu time spent up to now is 67.5 secs Computing kpt #: 238 total cpu time spent up to now is 67.8 secs Computing kpt #: 239 total cpu time spent up to now is 68.1 secs Computing kpt #: 240 total cpu time spent up to now is 68.3 secs Computing kpt #: 241 total cpu time spent up to now is 68.6 secs Computing kpt #: 242 total cpu time spent up to now is 68.9 secs Computing kpt #: 243 total cpu time spent up to now is 69.2 secs Computing kpt #: 244 total cpu time spent up to now is 69.5 secs Computing kpt #: 245 total cpu time spent up to now is 69.8 secs Computing kpt #: 246 total cpu time spent up to now is 70.1 secs Computing kpt #: 247 total cpu time spent up to now is 70.3 secs Computing kpt #: 248 total cpu time spent up to now is 70.6 secs Computing kpt #: 249 total cpu time spent up to now is 70.9 secs Computing kpt #: 250 total cpu time spent up to now is 71.2 secs Computing kpt #: 251 total cpu time spent up to now is 71.4 secs Computing kpt #: 252 total cpu time spent up to now is 71.7 secs Computing kpt #: 253 total cpu time spent up to now is 71.9 secs Computing kpt #: 254 total cpu time spent up to now is 72.2 secs Computing kpt #: 255 total cpu time spent up to now is 72.5 secs Computing kpt #: 256 total cpu time spent up to now is 72.7 secs Computing kpt #: 257 total cpu time spent up to now is 73.0 secs Computing kpt #: 258 total cpu time spent up to now is 73.2 secs Computing kpt #: 259 total cpu time spent up to now is 73.5 secs Computing kpt #: 260 total cpu time spent up to now is 73.8 secs Computing kpt #: 261 total cpu time spent up to now is 74.0 secs Computing kpt #: 262 total cpu time spent up to now is 74.3 secs Computing kpt #: 263 total cpu time spent up to now is 74.5 secs Computing kpt #: 264 total cpu time spent up to now is 74.8 secs Computing kpt #: 265 total cpu time spent up to now is 75.0 secs Computing kpt #: 266 total cpu time spent up to now is 75.3 secs Computing kpt #: 267 total cpu time spent up to now is 75.5 secs Computing kpt #: 268 total cpu time spent up to now is 75.8 secs Computing kpt #: 269 total cpu time spent up to now is 76.0 secs Computing kpt #: 270 total cpu time spent up to now is 76.3 secs Computing kpt #: 271 total cpu time spent up to now is 76.6 secs Computing kpt #: 272 total cpu time spent up to now is 76.8 secs Computing kpt #: 273 total cpu time spent up to now is 77.1 secs Computing kpt #: 274 total cpu time spent up to now is 77.4 secs Computing kpt #: 275 total cpu time spent up to now is 77.6 secs Computing kpt #: 276 total cpu time spent up to now is 77.9 secs Computing kpt #: 277 total cpu time spent up to now is 78.1 secs Computing kpt #: 278 total cpu time spent up to now is 78.4 secs Computing kpt #: 279 total cpu time spent up to now is 78.7 secs Computing kpt #: 280 total cpu time spent up to now is 79.0 secs Computing kpt #: 281 total cpu time spent up to now is 79.2 secs Computing kpt #: 282 total cpu time spent up to now is 79.5 secs Computing kpt #: 283 total cpu time spent up to now is 79.8 secs Computing kpt #: 284 total cpu time spent up to now is 80.1 secs Computing kpt #: 285 total cpu time spent up to now is 80.4 secs Computing kpt #: 286 total cpu time spent up to now is 80.6 secs Computing kpt #: 287 total cpu time spent up to now is 80.9 secs Computing kpt #: 288 total cpu time spent up to now is 81.2 secs Computing kpt #: 289 total cpu time spent up to now is 81.5 secs Computing kpt #: 290 total cpu time spent up to now is 81.8 secs Computing kpt #: 291 total cpu time spent up to now is 82.1 secs Computing kpt #: 292 total cpu time spent up to now is 82.4 secs Computing kpt #: 293 total cpu time spent up to now is 82.7 secs Computing kpt #: 294 total cpu time spent up to now is 83.0 secs Computing kpt #: 295 total cpu time spent up to now is 83.3 secs Computing kpt #: 296 total cpu time spent up to now is 83.6 secs Computing kpt #: 297 total cpu time spent up to now is 83.9 secs Computing kpt #: 298 total cpu time spent up to now is 84.2 secs Computing kpt #: 299 total cpu time spent up to now is 84.5 secs Computing kpt #: 300 total cpu time spent up to now is 84.8 secs Computing kpt #: 301 total cpu time spent up to now is 85.1 secs Computing kpt #: 302 total cpu time spent up to now is 85.3 secs Computing kpt #: 303 total cpu time spent up to now is 85.6 secs Computing kpt #: 304 total cpu time spent up to now is 85.9 secs Computing kpt #: 305 total cpu time spent up to now is 86.1 secs Computing kpt #: 306 total cpu time spent up to now is 86.4 secs Computing kpt #: 307 total cpu time spent up to now is 86.7 secs Computing kpt #: 308 total cpu time spent up to now is 86.9 secs Computing kpt #: 309 total cpu time spent up to now is 87.2 secs Computing kpt #: 310 total cpu time spent up to now is 87.4 secs Computing kpt #: 311 total cpu time spent up to now is 87.7 secs Computing kpt #: 312 total cpu time spent up to now is 87.9 secs Computing kpt #: 313 total cpu time spent up to now is 88.2 secs Computing kpt #: 314 total cpu time spent up to now is 88.4 secs Computing kpt #: 315 total cpu time spent up to now is 88.6 secs Computing kpt #: 316 total cpu time spent up to now is 88.9 secs Computing kpt #: 317 total cpu time spent up to now is 89.1 secs Computing kpt #: 318 total cpu time spent up to now is 89.3 secs Computing kpt #: 319 total cpu time spent up to now is 89.6 secs Computing kpt #: 320 total cpu time spent up to now is 89.8 secs Computing kpt #: 321 total cpu time spent up to now is 90.0 secs Computing kpt #: 322 total cpu time spent up to now is 90.3 secs Computing kpt #: 323 total cpu time spent up to now is 90.5 secs Computing kpt #: 324 total cpu time spent up to now is 90.7 secs Computing kpt #: 325 total cpu time spent up to now is 90.9 secs Computing kpt #: 326 total cpu time spent up to now is 91.2 secs Computing kpt #: 327 total cpu time spent up to now is 91.4 secs Computing kpt #: 328 total cpu time spent up to now is 91.6 secs Computing kpt #: 329 total cpu time spent up to now is 91.9 secs Computing kpt #: 330 total cpu time spent up to now is 92.1 secs Computing kpt #: 331 total cpu time spent up to now is 92.4 secs Computing kpt #: 332 total cpu time spent up to now is 92.6 secs Computing kpt #: 333 total cpu time spent up to now is 92.9 secs Computing kpt #: 334 total cpu time spent up to now is 93.1 secs Computing kpt #: 335 total cpu time spent up to now is 93.4 secs Computing kpt #: 336 total cpu time spent up to now is 93.6 secs Computing kpt #: 337 total cpu time spent up to now is 93.9 secs Computing kpt #: 338 total cpu time spent up to now is 94.1 secs Computing kpt #: 339 total cpu time spent up to now is 94.4 secs Computing kpt #: 340 total cpu time spent up to now is 94.6 secs Computing kpt #: 341 total cpu time spent up to now is 94.9 secs Computing kpt #: 342 total cpu time spent up to now is 95.1 secs Computing kpt #: 343 total cpu time spent up to now is 95.4 secs Computing kpt #: 344 total cpu time spent up to now is 95.7 secs Computing kpt #: 345 total cpu time spent up to now is 96.0 secs Computing kpt #: 346 total cpu time spent up to now is 96.3 secs Computing kpt #: 347 total cpu time spent up to now is 96.6 secs Computing kpt #: 348 total cpu time spent up to now is 96.9 secs Computing kpt #: 349 total cpu time spent up to now is 97.2 secs Computing kpt #: 350 total cpu time spent up to now is 97.4 secs Computing kpt #: 351 total cpu time spent up to now is 97.7 secs Computing kpt #: 352 total cpu time spent up to now is 98.0 secs Computing kpt #: 353 total cpu time spent up to now is 98.2 secs Computing kpt #: 354 total cpu time spent up to now is 98.5 secs Computing kpt #: 355 total cpu time spent up to now is 98.8 secs Computing kpt #: 356 total cpu time spent up to now is 99.1 secs Computing kpt #: 357 total cpu time spent up to now is 99.3 secs Computing kpt #: 358 total cpu time spent up to now is 99.6 secs Computing kpt #: 359 total cpu time spent up to now is 99.9 secs Computing kpt #: 360 total cpu time spent up to now is 100.2 secs Computing kpt #: 361 total cpu time spent up to now is 100.4 secs Computing kpt #: 362 total cpu time spent up to now is 100.7 secs Computing kpt #: 363 total cpu time spent up to now is 100.9 secs Computing kpt #: 364 total cpu time spent up to now is 101.2 secs Computing kpt #: 365 total cpu time spent up to now is 101.5 secs Computing kpt #: 366 total cpu time spent up to now is 101.7 secs Computing kpt #: 367 total cpu time spent up to now is 102.0 secs Computing kpt #: 368 total cpu time spent up to now is 102.2 secs Computing kpt #: 369 total cpu time spent up to now is 102.5 secs Computing kpt #: 370 total cpu time spent up to now is 102.8 secs Computing kpt #: 371 total cpu time spent up to now is 103.0 secs Computing kpt #: 372 total cpu time spent up to now is 103.3 secs Computing kpt #: 373 total cpu time spent up to now is 103.5 secs Computing kpt #: 374 total cpu time spent up to now is 103.8 secs Computing kpt #: 375 total cpu time spent up to now is 104.0 secs Computing kpt #: 376 total cpu time spent up to now is 104.3 secs Computing kpt #: 377 total cpu time spent up to now is 104.5 secs Computing kpt #: 378 total cpu time spent up to now is 104.8 secs ethr = 2.50E-08, avg # of iterations = 16.8 total cpu time spent up to now is 104.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3371 PWs) bands (ev): -20.8212 -20.8212 -19.6343 -19.6343 -18.4882 -18.4882 -17.8498 -17.8498 -17.7156 -17.7156 -5.2809 -5.2809 -4.4567 -4.4567 -4.2700 -4.2700 -2.5700 -2.5700 -2.5665 -2.5665 -1.0520 -1.0520 -0.7977 -0.7977 0.6914 0.6914 0.8431 0.8431 0.8740 0.8740 1.0503 1.0503 1.0879 1.0879 1.2901 1.2901 1.4909 1.4909 1.5374 1.5374 9.1335 9.1335 10.9808 10.9808 11.7850 11.7850 13.7503 13.7503 k = 0.0000 0.0116-0.0000 ( 3367 PWs) bands (ev): -20.8211 -20.8211 -19.6339 -19.6339 -18.4885 -18.4885 -17.8497 -17.8497 -17.7157 -17.7157 -5.2811 -5.2811 -4.4569 -4.4569 -4.2704 -4.2704 -2.5703 -2.5703 -2.5666 -2.5666 -1.0517 -1.0517 -0.7963 -0.7963 0.6881 0.6881 0.8424 0.8424 0.8733 0.8733 1.0514 1.0514 1.0887 1.0887 1.2912 1.2912 1.4903 1.4903 1.5366 1.5366 9.1366 9.1366 10.9832 10.9832 11.7864 11.7864 13.7518 13.7518 k = 0.0000 0.0233-0.0000 ( 3363 PWs) bands (ev): -20.8206 -20.8206 -19.6327 -19.6327 -18.4893 -18.4893 -17.8496 -17.8496 -17.7162 -17.7162 -5.2817 -5.2817 -4.4577 -4.4577 -4.2718 -4.2718 -2.5721 -2.5721 -2.5661 -2.5661 -1.0510 -1.0510 -0.7921 -0.7921 0.6783 0.6783 0.8401 0.8401 0.8710 0.8710 1.0543 1.0543 1.0914 1.0914 1.2946 1.2946 1.4882 1.4882 1.5346 1.5346 9.1457 9.1457 10.9904 10.9904 11.7906 11.7906 13.7563 13.7563 k = 0.0000 0.0349-0.0000 ( 3367 PWs) bands (ev): -20.8199 -20.8199 -19.6308 -19.6308 -18.4907 -18.4907 -17.8494 -17.8494 -17.7169 -17.7169 -5.2828 -5.2828 -4.4590 -4.4590 -4.2739 -4.2739 -2.5757 -2.5757 -2.5645 -2.5645 -1.0497 -1.0497 -0.7853 -0.7853 0.6629 0.6629 0.8364 0.8364 0.8672 0.8672 1.0580 1.0580 1.0961 1.0961 1.3004 1.3004 1.4845 1.4845 1.5313 1.5313 9.1610 9.1610 11.0023 11.0023 11.7976 11.7976 13.7638 13.7638 k = 0.0000 0.0465-0.0000 ( 3377 PWs) bands (ev): -20.8188 -20.8188 -19.6281 -19.6281 -18.4928 -18.4928 -17.8491 -17.8491 -17.7179 -17.7179 -5.2843 -5.2843 -4.4609 -4.4609 -4.2768 -4.2768 -2.5810 -2.5810 -2.5620 -2.5620 -1.0479 -1.0479 -0.7759 -0.7759 0.6429 0.6429 0.8313 0.8313 0.8619 0.8619 1.0616 1.0616 1.1023 1.1023 1.3089 1.3089 1.4791 1.4791 1.5271 1.5271 9.1822 9.1822 11.0187 11.0187 11.8077 11.8077 13.7743 13.7743 k = 0.0000 0.0581-0.0000 ( 3381 PWs) bands (ev): -20.8175 -20.8175 -19.6246 -19.6246 -18.4953 -18.4953 -17.8487 -17.8487 -17.7192 -17.7192 -5.2862 -5.2862 -4.4635 -4.4635 -4.2802 -4.2802 -2.5877 -2.5877 -2.5587 -2.5587 -1.0456 -1.0456 -0.7640 -0.7640 0.6191 0.6191 0.8246 0.8246 0.8551 0.8551 1.0647 1.0647 1.1096 1.1096 1.3200 1.3200 1.4718 1.4718 1.5225 1.5225 9.2092 9.2092 11.0393 11.0393 11.8210 11.8210 13.7878 13.7878 k = 0.0000 0.0698-0.0000 ( 3389 PWs) bands (ev): -20.8159 -20.8159 -19.6204 -19.6204 -18.4985 -18.4985 -17.8483 -17.8483 -17.7207 -17.7207 -5.2886 -5.2886 -4.4669 -4.4669 -4.2842 -4.2842 -2.5957 -2.5957 -2.5546 -2.5546 -1.0428 -1.0428 -0.7498 -0.7498 0.5924 0.5924 0.8165 0.8165 0.8469 0.8469 1.0672 1.0672 1.1169 1.1169 1.3338 1.3338 1.4623 1.4623 1.5177 1.5177 9.2421 9.2421 11.0639 11.0639 11.8376 11.8376 13.8043 13.8043 k = 0.0000 0.0814-0.0000 ( 3401 PWs) bands (ev): -20.8140 -20.8140 -19.6154 -19.6154 -18.5023 -18.5023 -17.8478 -17.8478 -17.7225 -17.7225 -5.2915 -5.2915 -4.4711 -4.4711 -4.2884 -4.2884 -2.6047 -2.6047 -2.5499 -2.5499 -1.0395 -1.0395 -0.7335 -0.7335 0.5636 0.5636 0.8070 0.8070 0.8373 0.8373 1.0694 1.0694 1.1234 1.1234 1.3500 1.3500 1.4508 1.4508 1.5129 1.5129 9.2804 9.2804 11.0919 11.0919 11.8579 11.8579 13.8237 13.8237 k = 0.0000 0.0930-0.0000 ( 3403 PWs) bands (ev): -20.8118 -20.8118 -19.6096 -19.6096 -18.5066 -18.5066 -17.8472 -17.8472 -17.7246 -17.7246 -5.2948 -5.2948 -4.4764 -4.4764 -4.2927 -4.2927 -2.6145 -2.6145 -2.5444 -2.5444 -1.0357 -1.0357 -0.7152 -0.7152 0.5331 0.5331 0.7960 0.7960 0.8264 0.8264 1.0714 1.0714 1.1288 1.1288 1.3679 1.3679 1.4381 1.4381 1.5082 1.5082 9.3242 9.3242 11.1230 11.1230 11.8823 11.8823 13.8459 13.8459 k = 0.0000 0.1047-0.0000 ( 3403 PWs) bands (ev): -20.8094 -20.8094 -19.6031 -19.6031 -18.5115 -18.5115 -17.8465 -17.8465 -17.7268 -17.7268 -5.2987 -5.2987 -4.4827 -4.4827 -4.2969 -4.2969 -2.6252 -2.6252 -2.5382 -2.5382 -1.0313 -1.0313 -0.6952 -0.6952 0.5013 0.5013 0.7836 0.7836 0.8141 0.8141 1.0734 1.0734 1.1330 1.1330 1.3847 1.3847 1.4266 1.4266 1.5035 1.5035 9.3732 9.3732 11.1564 11.1564 11.9111 11.9111 13.8709 13.8709 k = 0.0000 0.1163-0.0000 ( 3407 PWs) bands (ev): -20.8067 -20.8067 -19.5959 -19.5959 -18.5170 -18.5170 -17.8458 -17.8458 -17.7293 -17.7293 -5.3030 -5.3030 -4.4902 -4.4902 -4.3007 -4.3007 -2.6364 -2.6364 -2.5313 -2.5313 -1.0264 -1.0264 -0.6738 -0.6738 0.4686 0.4686 0.7698 0.7698 0.8005 0.8005 1.0753 1.0753 1.1359 1.1359 1.3889 1.3889 1.4276 1.4276 1.4989 1.4989 9.4271 9.4271 11.1916 11.1916 11.9448 11.9448 13.8871 13.8871 k = 0.0000 0.1279-0.0000 ( 3411 PWs) bands (ev): -20.8038 -20.8038 -19.5880 -19.5880 -18.5231 -18.5231 -17.8450 -17.8450 -17.7320 -17.7320 -5.3079 -5.3079 -4.4990 -4.4990 -4.3042 -4.3042 -2.6479 -2.6479 -2.5238 -2.5238 -1.0210 -1.0210 -0.6510 -0.6510 0.4353 0.4353 0.7545 0.7545 0.7857 0.7857 1.0773 1.0773 1.1376 1.1376 1.3758 1.3758 1.4456 1.4456 1.4943 1.4943 9.4857 9.4857 11.2279 11.2279 11.9839 11.9839 13.8286 13.8286 k = 0.0000 0.1395-0.0000 ( 3411 PWs) bands (ev): -20.8007 -20.8007 -19.5793 -19.5793 -18.5297 -18.5297 -17.8441 -17.8441 -17.7349 -17.7349 -5.3133 -5.3133 -4.5089 -4.5089 -4.3071 -4.3071 -2.6598 -2.6598 -2.5157 -2.5157 -1.0151 -1.0151 -0.6271 -0.6271 0.4015 0.4015 0.7379 0.7379 0.7698 0.7698 1.0793 1.0793 1.1384 1.1384 1.3574 1.3574 1.4677 1.4677 1.4907 1.4907 9.5487 9.5487 11.2645 11.2645 12.0286 12.0286 13.7648 13.7648 k = 0.0000 0.1512-0.0000 ( 3407 PWs) bands (ev): -20.7974 -20.7974 -19.5700 -19.5700 -18.5370 -18.5370 -17.8432 -17.8432 -17.7379 -17.7379 -5.3193 -5.3193 -4.5200 -4.5200 -4.3093 -4.3093 -2.6717 -2.6717 -2.5070 -2.5070 -1.0086 -1.0086 -0.6024 -0.6024 0.3674 0.3674 0.7198 0.7198 0.7528 0.7528 1.0814 1.0814 1.1384 1.1384 1.3371 1.3371 1.4798 1.4798 1.4985 1.4985 9.6160 9.6160 11.3009 11.3009 12.0794 12.0794 13.6982 13.6982 k = 0.0000 0.1628-0.0000 ( 3407 PWs) bands (ev): -20.7939 -20.7939 -19.5599 -19.5599 -18.5449 -18.5449 -17.8422 -17.8422 -17.7411 -17.7411 -5.3259 -5.3259 -4.5322 -4.5322 -4.3109 -4.3109 -2.6836 -2.6836 -2.4978 -2.4978 -1.0015 -1.0015 -0.5771 -0.5771 0.3331 0.3331 0.7004 0.7004 0.7349 0.7349 1.0836 1.0836 1.1377 1.1377 1.3159 1.3159 1.4766 1.4766 1.5221 1.5221 9.6871 9.6871 11.3363 11.3363 12.1365 12.1365 13.6295 13.6295 k = 0.0000 0.1744-0.0000 ( 3407 PWs) bands (ev): -20.7903 -20.7903 -19.5492 -19.5492 -18.5533 -18.5533 -17.8412 -17.8412 -17.7444 -17.7444 -5.3330 -5.3330 -4.5453 -4.5453 -4.3118 -4.3118 -2.6953 -2.6953 -2.4881 -2.4881 -0.9939 -0.9939 -0.5513 -0.5513 0.2988 0.2988 0.6797 0.6797 0.7162 0.7162 1.0858 1.0858 1.1364 1.1364 1.2942 1.2942 1.4716 1.4716 1.5476 1.5476 9.7619 9.7619 11.3705 11.3705 12.1998 12.1998 13.5594 13.5594 k = 0.0000 0.1860-0.0000 ( 3407 PWs) bands (ev): -20.7864 -20.7864 -19.5378 -19.5378 -18.5624 -18.5624 -17.8402 -17.8402 -17.7479 -17.7479 -5.3407 -5.3407 -4.5592 -4.5592 -4.3122 -4.3122 -2.7068 -2.7068 -2.4779 -2.4779 -0.9858 -0.9858 -0.5252 -0.5252 0.2644 0.2644 0.6576 0.6576 0.6968 0.6968 1.0881 1.0881 1.1346 1.1346 1.2722 1.2722 1.4662 1.4662 1.5733 1.5733 9.8400 9.8400 11.4031 11.4031 12.2691 12.2691 13.4882 13.4882 k = 0.0000 0.1977-0.0000 ( 3403 PWs) bands (ev): -20.7825 -20.7825 -19.5258 -19.5258 -18.5720 -18.5720 -17.8391 -17.8391 -17.7514 -17.7514 -5.3490 -5.3490 -4.5736 -4.5736 -4.3119 -4.3119 -2.7179 -2.7179 -2.4672 -2.4672 -0.9770 -0.9770 -0.4990 -0.4990 0.2302 0.2302 0.6344 0.6344 0.6767 0.6767 1.0904 1.0904 1.1324 1.1324 1.2503 1.2503 1.4606 1.4606 1.5989 1.5989 9.9212 9.9212 11.4339 11.4339 12.3440 12.3440 13.4165 13.4165 k = 0.0000 0.2093-0.0000 ( 3407 PWs) bands (ev): -20.7785 -20.7785 -19.5132 -19.5132 -18.5823 -18.5823 -17.8380 -17.8380 -17.7549 -17.7549 -5.3579 -5.3579 -4.5885 -4.5885 -4.3111 -4.3111 -2.7287 -2.7287 -2.4561 -2.4561 -0.9678 -0.9678 -0.4729 -0.4729 0.1960 0.1960 0.6102 0.6102 0.6562 0.6562 1.0928 1.0928 1.1298 1.1298 1.2285 1.2285 1.4548 1.4548 1.6241 1.6241 10.0051 10.0051 11.4628 11.4628 12.4239 12.4239 13.3448 13.3448 k = 0.0000 0.2209-0.0000 ( 3410 PWs) bands (ev): -20.7744 -20.7744 -19.4999 -19.4999 -18.5931 -18.5931 -17.8369 -17.8369 -17.7586 -17.7586 -5.3674 -5.3674 -4.6036 -4.6036 -4.3099 -4.3099 -2.7389 -2.7389 -2.4447 -2.4447 -0.9579 -0.9579 -0.4471 -0.4471 0.1621 0.1621 0.5849 0.5849 0.6352 0.6352 1.0952 1.0952 1.1269 1.1269 1.2071 1.2071 1.4489 1.4489 1.6489 1.6489 10.0914 10.0914 11.4901 11.4901 12.5080 12.5080 13.2734 13.2734 k = 0.0000 0.2326-0.0000 ( 3412 PWs) bands (ev): -20.7702 -20.7702 -19.4862 -19.4862 -18.6045 -18.6045 -17.8357 -17.8357 -17.7622 -17.7622 -5.3773 -5.3773 -4.6187 -4.6187 -4.3083 -4.3083 -2.7486 -2.7486 -2.4330 -2.4330 -0.9475 -0.9475 -0.4216 -0.4216 0.1284 0.1284 0.5590 0.5590 0.6139 0.6139 1.0976 1.0976 1.1236 1.1236 1.1863 1.1863 1.4429 1.4429 1.6732 1.6732 10.1798 10.1798 11.5157 11.5157 12.5951 12.5951 13.2028 13.2028 k = 0.0000 0.2442-0.0000 ( 3414 PWs) bands (ev): -20.7660 -20.7660 -19.4718 -19.4718 -18.6164 -18.6164 -17.8345 -17.8345 -17.7658 -17.7658 -5.3878 -5.3878 -4.6338 -4.6338 -4.3064 -4.3064 -2.7578 -2.7578 -2.4211 -2.4211 -0.9365 -0.9365 -0.3968 -0.3968 0.0949 0.0949 0.5325 0.5325 0.5924 0.5924 1.1000 1.1000 1.1197 1.1197 1.1664 1.1664 1.4369 1.4369 1.6968 1.6968 10.2701 10.2701 11.5399 11.5399 12.6842 12.6842 13.1332 13.1332 k = 0.0000 0.2558-0.0000 ( 3416 PWs) bands (ev): -20.7617 -20.7617 -19.4569 -19.4569 -18.6290 -18.6290 -17.8334 -17.8334 -17.7695 -17.7695 -5.3987 -5.3987 -4.6486 -4.6486 -4.3042 -4.3042 -2.7664 -2.7664 -2.4089 -2.4089 -0.9249 -0.9249 -0.3726 -0.3726 0.0618 0.0618 0.5057 0.5057 0.5707 0.5707 1.1022 1.1022 1.1151 1.1151 1.1479 1.1479 1.4309 1.4309 1.7196 1.7196 10.3618 10.3618 11.5628 11.5629 12.7738 12.7738 13.0651 13.0651 k = 0.0000 0.2674-0.0000 ( 3416 PWs) bands (ev): -20.7575 -20.7575 -19.4416 -19.4416 -18.6420 -18.6420 -17.8322 -17.8322 -17.7731 -17.7731 -5.4100 -5.4100 -4.6630 -4.6630 -4.3018 -4.3018 -2.7744 -2.7744 -2.3967 -2.3967 -0.9127 -0.9127 -0.3493 -0.3493 0.0290 0.0290 0.4788 0.4788 0.5490 0.5490 1.1036 1.1036 1.1090 1.1090 1.1324 1.1324 1.4249 1.4249 1.7417 1.7417 10.4546 10.4546 11.5848 11.5848 12.8625 12.8625 12.9987 12.9987 k = 0.0000 0.2791-0.0000 ( 3416 PWs) bands (ev): -20.7533 -20.7533 -19.4257 -19.4257 -18.6556 -18.6556 -17.8311 -17.8311 -17.7766 -17.7766 -5.4216 -5.4216 -4.6770 -4.6770 -4.2992 -4.2992 -2.7818 -2.7818 -2.3844 -2.3844 -0.9000 -0.9000 -0.3270 -0.3270 -0.0035 -0.0035 0.4521 0.4521 0.5274 0.5274 1.0957 1.0957 1.1077 1.1077 1.1218 1.1218 1.4189 1.4189 1.7630 1.7630 10.5482 10.5482 11.6058 11.6058 12.9312 12.9312 12.9517 12.9517 k = 0.0000 0.2907-0.0000 ( 3414 PWs) bands (ev): -20.7492 -20.7492 -19.4095 -19.4095 -18.6696 -18.6696 -17.8300 -17.8300 -17.7800 -17.7800 -5.4335 -5.4335 -4.6905 -4.6905 -4.2964 -4.2964 -2.7885 -2.7885 -2.3720 -2.3720 -0.8866 -0.8866 -0.3058 -0.3058 -0.0356 -0.0356 0.4257 0.4257 0.5059 0.5059 1.0813 1.0813 1.1091 1.1091 1.1160 1.1160 1.4130 1.4130 1.7834 1.7834 10.6421 10.6421 11.6264 11.6264 12.8709 12.8709 13.0317 13.0317 k = 0.0000 0.3023-0.0000 ( 3410 PWs) bands (ev): -20.7451 -20.7451 -19.3928 -19.3928 -18.6841 -18.6841 -17.8288 -17.8288 -17.7834 -17.7834 -5.4456 -5.4456 -4.7033 -4.7033 -4.2936 -4.2936 -2.7947 -2.7947 -2.3598 -2.3598 -0.8726 -0.8726 -0.2859 -0.2859 -0.0673 -0.0673 0.4000 0.4000 0.4848 0.4848 1.0656 1.0656 1.1082 1.1082 1.1143 1.1143 1.4072 1.4072 1.8028 1.8028 10.7358 10.7358 11.6466 11.6466 12.8109 12.8109 13.1081 13.1081 k = 0.0000 0.3140-0.0000 ( 3420 PWs) bands (ev): -20.7411 -20.7411 -19.3758 -19.3758 -18.6991 -18.6991 -17.8278 -17.8278 -17.7867 -17.7867 -5.4577 -5.4577 -4.7154 -4.7154 -4.2908 -4.2908 -2.8003 -2.8003 -2.3477 -2.3477 -0.8581 -0.8581 -0.2674 -0.2674 -0.0986 -0.0986 0.3751 0.3751 0.4640 0.4640 1.0500 1.0500 1.1051 1.1051 1.1157 1.1157 1.4015 1.4015 1.8213 1.8213 10.8288 10.8288 11.6669 11.6669 12.7534 12.7534 13.1773 13.1773 k = 0.0000 0.3256-0.0000 ( 3420 PWs) bands (ev): -20.7372 -20.7372 -19.3585 -19.3585 -18.7145 -18.7145 -17.8267 -17.8267 -17.7898 -17.7898 -5.4697 -5.4697 -4.7268 -4.7268 -4.2879 -4.2879 -2.8054 -2.8054 -2.3358 -2.3358 -0.8430 -0.8430 -0.2503 -0.2503 -0.1295 -0.1295 0.3514 0.3514 0.4437 0.4437 1.0349 1.0349 1.1017 1.1017 1.1176 1.1176 1.3960 1.3960 1.8389 1.8389 10.9204 10.9204 11.6876 11.6876 12.6986 12.6986 13.2379 13.2379 k = 0.0000 0.3372-0.0000 ( 3414 PWs) bands (ev): -20.7335 -20.7335 -19.3409 -19.3409 -18.7302 -18.7302 -17.8257 -17.8257 -17.7928 -17.7928 -5.4817 -5.4817 -4.7375 -4.7375 -4.2851 -4.2851 -2.8099 -2.8099 -2.3242 -2.3242 -0.8273 -0.8273 -0.2349 -0.2349 -0.1598 -0.1598 0.3291 0.3291 0.4241 0.4241 1.0205 1.0205 1.0985 1.0985 1.1196 1.1196 1.3907 1.3907 1.8554 1.8554 11.0099 11.0099 11.7093 11.7093 12.6466 12.6466 13.2888 13.2888 k = 0.0000 0.3488-0.0000 ( 3410 PWs) bands (ev): -20.7299 -20.7299 -19.3231 -19.3231 -18.7462 -18.7462 -17.8247 -17.8247 -17.7957 -17.7957 -5.4934 -5.4934 -4.7474 -4.7474 -4.2823 -4.2823 -2.8139 -2.8139 -2.3129 -2.3129 -0.8110 -0.8110 -0.2215 -0.2215 -0.1896 -0.1896 0.3084 0.3084 0.4052 0.4052 1.0070 1.0070 1.0954 1.0954 1.1217 1.1217 1.3857 1.3857 1.8708 1.8708 11.0963 11.0963 11.7327 11.7327 12.5977 12.5977 13.3294 13.3294 k = 0.0000 0.3605-0.0000 ( 3410 PWs) bands (ev): -20.7265 -20.7265 -19.3052 -19.3052 -18.7625 -18.7625 -17.8238 -17.8238 -17.7983 -17.7983 -5.5047 -5.5047 -4.7565 -4.7565 -4.2796 -4.2796 -2.8174 -2.8174 -2.3021 -2.3021 -0.7942 -0.7942 -0.2211 -0.2211 -0.2076 -0.2076 0.2894 0.2894 0.3871 0.3871 0.9943 0.9943 1.0924 1.0924 1.1236 1.1236 1.3809 1.3809 1.8852 1.8852 11.1782 11.1782 11.7584 11.7584 12.5519 12.5519 13.3593 13.3593 k = 0.0000 0.3721-0.0000 ( 3416 PWs) bands (ev): -20.7233 -20.7233 -19.2872 -19.2872 -18.7790 -18.7790 -17.8229 -17.8229 -17.8008 -17.8008 -5.5156 -5.5156 -4.7648 -4.7648 -4.2771 -4.2771 -2.8204 -2.8204 -2.2918 -2.2918 -0.7767 -0.7767 -0.2492 -0.2492 -0.1984 -0.1984 0.2722 0.2722 0.3700 0.3700 0.9825 0.9825 1.0896 1.0896 1.1254 1.1254 1.3763 1.3763 1.8986 1.8986 11.2544 11.2544 11.7876 11.7876 12.5093 12.5093 13.3787 13.3787 k = 0.0000 0.3837-0.0000 ( 3412 PWs) bands (ev): -20.7203 -20.7203 -19.2692 -19.2692 -18.7955 -18.7955 -17.8221 -17.8221 -17.8032 -17.8032 -5.5259 -5.5259 -4.7724 -4.7724 -4.2746 -4.2746 -2.8231 -2.8231 -2.2821 -2.2821 -0.7587 -0.7587 -0.2778 -0.2778 -0.1901 -0.1901 0.2571 0.2571 0.3540 0.3540 0.9716 0.9716 1.0871 1.0871 1.1271 1.1271 1.3721 1.3721 1.9108 1.9108 11.3233 11.3233 11.8212 11.8212 12.4702 12.4702 13.3882 13.3882 k = 0.0000 0.3953-0.0000 ( 3412 PWs) bands (ev): -20.7176 -20.7176 -19.2514 -19.2514 -18.8120 -18.8120 -17.8214 -17.8214 -17.8053 -17.8053 -5.5356 -5.5356 -4.7792 -4.7792 -4.2723 -4.2723 -2.8254 -2.8254 -2.2730 -2.2730 -0.7402 -0.7402 -0.3060 -0.3060 -0.1834 -0.1834 0.2441 0.2441 0.3391 0.3391 0.9617 0.9617 1.0847 1.0847 1.1286 1.1286 1.3682 1.3682 1.9219 1.9219 11.3835 11.3835 11.8601 11.8601 12.4345 12.4345 13.3884 13.3884 k = 0.0000 0.4070-0.0000 ( 3410 PWs) bands (ev): -20.7151 -20.7151 -19.2340 -19.2340 -18.8283 -18.8283 -17.8207 -17.8207 -17.8072 -17.8072 -5.5445 -5.5445 -4.7852 -4.7852 -4.2702 -4.2702 -2.8273 -2.8273 -2.2647 -2.2647 -0.7212 -0.7212 -0.3337 -0.3337 -0.1782 -0.1782 0.2330 0.2330 0.3255 0.3255 0.9527 0.9527 1.0825 1.0825 1.1301 1.1301 1.3646 1.3646 1.9319 1.9319 11.4342 11.4342 11.9042 11.9042 12.4023 12.4023 13.3806 13.3806 k = 0.0000 0.4186-0.0000 ( 3408 PWs) bands (ev): -20.7128 -20.7128 -19.2170 -19.2170 -18.8443 -18.8443 -17.8201 -17.8201 -17.8089 -17.8089 -5.5525 -5.5525 -4.7905 -4.7905 -4.2683 -4.2683 -2.8289 -2.8289 -2.2572 -2.2572 -0.7017 -0.7017 -0.3608 -0.3608 -0.1745 -0.1745 0.2238 0.2238 0.3133 0.3133 0.9448 0.9448 1.0806 1.0806 1.1313 1.1313 1.3614 1.3614 1.9407 1.9407 11.4753 11.4753 11.9527 11.9527 12.3738 12.3738 13.3662 13.3662 k = 0.0000 0.4302-0.0000 ( 3406 PWs) bands (ev): -20.7108 -20.7108 -19.2007 -19.2007 -18.8597 -18.8597 -17.8196 -17.8196 -17.8104 -17.8104 -5.5597 -5.5597 -4.7951 -4.7951 -4.2667 -4.2667 -2.8302 -2.8302 -2.2506 -2.2506 -0.6817 -0.6817 -0.3874 -0.3874 -0.1720 -0.1720 0.2164 0.2164 0.3025 0.3025 0.9378 0.9378 1.0789 1.0789 1.1325 1.1325 1.3586 1.3586 1.9484 1.9484 11.5076 11.5076 12.0037 12.0037 12.3490 12.3490 13.3467 13.3467 k = 0.0000 0.4419-0.0000 ( 3414 PWs) bands (ev): -20.7092 -20.7092 -19.1855 -19.1855 -18.8742 -18.8742 -17.8191 -17.8191 -17.8117 -17.8117 -5.5659 -5.5659 -4.7989 -4.7989 -4.2652 -4.2652 -2.8313 -2.8313 -2.2448 -2.2448 -0.6614 -0.6614 -0.4133 -0.4133 -0.1704 -0.1704 0.2106 0.2106 0.2933 0.2933 0.9319 0.9319 1.0774 1.0774 1.1334 1.1334 1.3562 1.3562 1.9549 1.9549 11.5324 11.5324 12.0545 12.0545 12.3279 12.3279 13.3242 13.3242 k = 0.0000 0.4535-0.0000 ( 3408 PWs) bands (ev): -20.7078 -20.7078 -19.1717 -19.1717 -18.8873 -18.8873 -17.8187 -17.8187 -17.8128 -17.8128 -5.5710 -5.5710 -4.8021 -4.8021 -4.2640 -4.2640 -2.8321 -2.8321 -2.2401 -2.2401 -0.6408 -0.6408 -0.4384 -0.4384 -0.1695 -0.1695 0.2062 0.2062 0.2856 0.2856 0.9271 0.9271 1.0762 1.0762 1.1342 1.1342 1.3542 1.3542 1.9602 1.9602 11.5508 11.5508 12.1022 12.1022 12.3106 12.3106 13.3006 13.3006 k = 0.0000 0.4651-0.0000 ( 3408 PWs) bands (ev): -20.7067 -20.7067 -19.1600 -19.1600 -18.8986 -18.8986 -17.8184 -17.8184 -17.8136 -17.8136 -5.5750 -5.5750 -4.8045 -4.8045 -4.2631 -4.2631 -2.8327 -2.8327 -2.2363 -2.2363 -0.6204 -0.6204 -0.4624 -0.4624 -0.1691 -0.1691 0.2030 0.2030 0.2796 0.2796 0.9233 0.9233 1.0753 1.0753 1.1349 1.1349 1.3527 1.3527 1.9644 1.9644 11.5641 11.5641 12.1436 12.1436 12.2971 12.2971 13.2786 13.2786 k = 0.0000 0.4767-0.0000 ( 3410 PWs) bands (ev): -20.7059 -20.7059 -19.1509 -19.1509 -18.9073 -18.9073 -17.8182 -17.8182 -17.8142 -17.8142 -5.5779 -5.5779 -4.8062 -4.8062 -4.2624 -4.2624 -2.8332 -2.8332 -2.2336 -2.2336 -0.6008 -0.6008 -0.4846 -0.4846 -0.1690 -0.1690 0.2009 0.2009 0.2752 0.2752 0.9206 0.9206 1.0746 1.0746 1.1353 1.1353 1.3515 1.3515 1.9673 1.9673 11.5730 11.5730 12.1759 12.1759 12.2875 12.2875 13.2604 13.2604 k = 0.0000 0.4884-0.0000 ( 3408 PWs) bands (ev): -20.7054 -20.7054 -19.1450 -19.1450 -18.9130 -18.9130 -17.8181 -17.8181 -17.8145 -17.8145 -5.5797 -5.5797 -4.8072 -4.8072 -4.2620 -4.2620 -2.8335 -2.8335 -2.2320 -2.2320 -0.5841 -0.5841 -0.5028 -0.5028 -0.1690 -0.1690 0.1997 0.1997 0.2726 0.2726 0.9189 0.9189 1.0742 1.0742 1.1356 1.1356 1.3509 1.3509 1.9691 1.9691 11.5782 11.5782 12.1964 12.1964 12.2817 12.2817 13.2484 13.2484 k = 0.0000 0.5000-0.0000 ( 3400 PWs) bands (ev): -20.7052 -20.7052 -19.1430 -19.1430 -18.9149 -18.9149 -17.8180 -17.8180 -17.8146 -17.8146 -5.5803 -5.5803 -4.8076 -4.8076 -4.2618 -4.2618 -2.8335 -2.8335 -2.2314 -2.2314 -0.5765 -0.5765 -0.5109 -0.5109 -0.1690 -0.1690 0.1993 0.1993 0.2718 0.2718 0.9184 0.9184 1.0741 1.0741 1.1357 1.1357 1.3506 1.3506 1.9697 1.9697 11.5799 11.5799 12.2035 12.2035 12.2798 12.2798 13.2442 13.2442 k = 0.0000 0.5000-0.0000 ( 3400 PWs) bands (ev): -20.7052 -20.7052 -19.1430 -19.1430 -18.9149 -18.9149 -17.8180 -17.8180 -17.8146 -17.8146 -5.5803 -5.5803 -4.8076 -4.8076 -4.2618 -4.2618 -2.8335 -2.8335 -2.2314 -2.2314 -0.5765 -0.5765 -0.5109 -0.5109 -0.1690 -0.1690 0.1993 0.1993 0.2718 0.2718 0.9184 0.9184 1.0741 1.0741 1.1357 1.1357 1.3506 1.3506 1.9697 1.9697 11.5799 11.5799 12.2035 12.2035 12.2798 12.2798 13.2442 13.2442 k = 0.0116 0.5000-0.0000 ( 3408 PWs) bands (ev): -20.7052 -20.7052 -19.1427 -19.1427 -18.9149 -18.9149 -17.8180 -17.8180 -17.8148 -17.8148 -5.5804 -5.5804 -4.8075 -4.8075 -4.2630 -4.2630 -2.8397 -2.8397 -2.2251 -2.2251 -0.5767 -0.5767 -0.5110 -0.5110 -0.1740 -0.1740 0.1990 0.1990 0.2760 0.2760 0.9196 0.9196 1.0567 1.0567 1.1527 1.1527 1.3506 1.3506 1.9696 1.9696 11.5838 11.5838 12.2043 12.2043 12.2811 12.2811 13.2430 13.2430 k = 0.0233 0.5000-0.0000 ( 3408 PWs) bands (ev): -20.7049 -20.7049 -19.1419 -19.1419 -18.9148 -18.9148 -17.8179 -17.8179 -17.8153 -17.8153 -5.5806 -5.5806 -4.8072 -4.8072 -4.2663 -4.2663 -2.8574 -2.8574 -2.2069 -2.2069 -0.5772 -0.5772 -0.5112 -0.5112 -0.1882 -0.1882 0.1980 0.1980 0.2882 0.2882 0.9234 0.9234 1.0245 1.0245 1.1841 1.1841 1.3505 1.3505 1.9692 1.9692 11.5956 11.5956 12.2069 12.2069 12.2851 12.2851 13.2392 13.2392 k = 0.0349 0.5000-0.0000 ( 3408 PWs) bands (ev): -20.7044 -20.7044 -19.1405 -19.1405 -18.9146 -18.9146 -17.8177 -17.8177 -17.8162 -17.8162 -5.5810 -5.5810 -4.8067 -4.8067 -4.2719 -4.2719 -2.8849 -2.8849 -2.1787 -2.1787 -0.5781 -0.5781 -0.5116 -0.5116 -0.2103 -0.2103 0.1962 0.1962 0.3070 0.3070 0.9296 0.9296 0.9893 0.9893 1.2179 1.2179 1.3502 1.3502 1.9685 1.9685 11.6152 11.6152 12.2111 12.2111 12.2917 12.2917 13.2329 13.2329 k = 0.0465 0.5000-0.0000 ( 3416 PWs) bands (ev): -20.7038 -20.7038 -19.1385 -19.1385 -18.9144 -18.9144 -17.8175 -17.8175 -17.8174 -17.8174 -5.5816 -5.5816 -4.8061 -4.8061 -4.2796 -4.2796 -2.9198 -2.9198 -2.1426 -2.1426 -0.5793 -0.5793 -0.5122 -0.5122 -0.2386 -0.2386 0.1936 0.1936 0.3307 0.3307 0.9371 0.9371 0.9542 0.9542 1.2520 1.2520 1.3500 1.3500 1.9675 1.9675 11.6426 11.6426 12.2171 12.2171 12.3010 12.3010 13.2242 13.2242 k = 0.0581 0.5000-0.0000 ( 3418 PWs) bands (ev): -20.7029 -20.7029 -19.1359 -19.1359 -18.9141 -18.9141 -17.8190 -17.8190 -17.8172 -17.8172 -5.5823 -5.5823 -4.8054 -4.8054 -4.2893 -4.2893 -2.9603 -2.9603 -2.1007 -2.1007 -0.5808 -0.5808 -0.5129 -0.5129 -0.2713 -0.2713 0.1903 0.1903 0.3578 0.3578 0.9152 0.9152 0.9507 0.9507 1.2855 1.2855 1.3498 1.3498 1.9663 1.9663 11.6777 11.6777 12.2249 12.2249 12.3128 12.3128 13.2130 13.2130 k = 0.0698 0.5000-0.0000 ( 3414 PWs) bands (ev): -20.7019 -20.7019 -19.1328 -19.1328 -18.9138 -18.9138 -17.8209 -17.8209 -17.8168 -17.8168 -5.5832 -5.5832 -4.8045 -4.8045 -4.3010 -4.3010 -3.0046 -3.0046 -2.0545 -2.0545 -0.5827 -0.5827 -0.5139 -0.5139 -0.3074 -0.3074 0.1863 0.1863 0.3870 0.3870 0.8791 0.8791 0.9638 0.9638 1.3175 1.3175 1.3505 1.3505 1.9648 1.9648 11.7203 11.7203 12.2345 12.2345 12.3272 12.3272 13.1995 13.1995 k = 0.0814 0.5000-0.0000 ( 3416 PWs) bands (ev): -20.7007 -20.7007 -19.1292 -19.1292 -18.9134 -18.9134 -17.8231 -17.8231 -17.8164 -17.8164 -5.5843 -5.5843 -4.8035 -4.8035 -4.3144 -4.3144 -3.0517 -3.0517 -2.0053 -2.0053 -0.5849 -0.5849 -0.5151 -0.5151 -0.3457 -0.3457 0.1817 0.1817 0.4174 0.4174 0.8430 0.8430 0.9793 0.9793 1.3397 1.3397 1.3601 1.3601 1.9631 1.9631 11.7702 11.7702 12.2461 12.2461 12.3442 12.3442 13.1836 13.1836 k = 0.0930 0.5000-0.0000 ( 3420 PWs) bands (ev): -20.6994 -20.6994 -19.1251 -19.1251 -18.9130 -18.9130 -17.8257 -17.8257 -17.8159 -17.8159 -5.5855 -5.5855 -4.8025 -4.8025 -4.3294 -4.3294 -3.1006 -3.1006 -1.9540 -1.9540 -0.5874 -0.5874 -0.5167 -0.5167 -0.3856 -0.3856 0.1764 0.1764 0.4484 0.4484 0.8071 0.8071 0.9970 0.9970 1.3428 1.3428 1.3877 1.3877 1.9611 1.9611 11.8272 11.8272 12.2598 12.2598 12.3637 12.3637 13.1656 13.1656 k = 0.1047 0.5000-0.0000 ( 3420 PWs) bands (ev): -20.6979 -20.6979 -19.1204 -19.1204 -18.9125 -18.9125 -17.8286 -17.8286 -17.8153 -17.8153 -5.5870 -5.5870 -4.8015 -4.8015 -4.3459 -4.3459 -3.1507 -3.1507 -1.9012 -1.9012 -0.5902 -0.5902 -0.5186 -0.5186 -0.4265 -0.4265 0.1707 0.1707 0.4795 0.4795 0.7718 0.7718 1.0165 1.0165 1.3419 1.3419 1.4180 1.4180 1.9589 1.9589 11.8908 11.8908 12.2760 12.2760 12.3856 12.3856 13.1455 13.1455 k = 0.1163 0.5000-0.0000 ( 3416 PWs) bands (ev): -20.6962 -20.6962 -19.1152 -19.1152 -18.9120 -18.9120 -17.8318 -17.8318 -17.8147 -17.8147 -5.5886 -5.5886 -4.8006 -4.8006 -4.3636 -4.3636 -3.2016 -3.2016 -1.8474 -1.8474 -0.5934 -0.5934 -0.5211 -0.5211 -0.4677 -0.4677 0.1645 0.1645 0.5104 0.5104 0.7372 0.7372 1.0378 1.0378 1.3402 1.3402 1.4480 1.4480 1.9565 1.9565 11.9602 11.9602 12.2954 12.2954 12.4099 12.4099 13.1235 13.1235 k = 0.1279 0.5000-0.0000 ( 3416 PWs) bands (ev): -20.6944 -20.6944 -19.1096 -19.1096 -18.9114 -18.9114 -17.8353 -17.8353 -17.8140 -17.8140 -5.5904 -5.5904 -4.7999 -4.7999 -4.3823 -4.3823 -3.2527 -3.2527 -1.7929 -1.7929 -0.5970 -0.5970 -0.5261 -0.5261 -0.5071 -0.5071 0.1579 0.1579 0.5407 0.5407 0.7035 0.7035 1.0606 1.0606 1.3378 1.3378 1.4771 1.4771 1.9539 1.9539 12.0340 12.0340 12.3192 12.3192 12.4365 12.4365 13.0997 13.0997 k = 0.1395 0.5000-0.0000 ( 3412 PWs) bands (ev): -20.6925 -20.6925 -19.1035 -19.1035 -18.9107 -18.9107 -17.8391 -17.8391 -17.8133 -17.8133 -5.5924 -5.5924 -4.7994 -4.7994 -4.4016 -4.4016 -3.3040 -3.3040 -1.7380 -1.7380 -0.6011 -0.6011 -0.5546 -0.5546 -0.5232 -0.5232 0.1510 0.1510 0.5702 0.5702 0.6709 0.6709 1.0848 1.0848 1.3349 1.3349 1.5052 1.5052 1.9511 1.9511 12.1096 12.1096 12.3499 12.3499 12.4653 12.4653 13.0743 13.0743 k = 0.1512 0.5000-0.0000 ( 3408 PWs) bands (ev): -20.6904 -20.6904 -19.0970 -19.0970 -18.9101 -18.9101 -17.8432 -17.8432 -17.8125 -17.8125 -5.5946 -5.5946 -4.7993 -4.7993 -4.4214 -4.4214 -3.3552 -3.3552 -1.6830 -1.6830 -0.6082 -0.6082 -0.5925 -0.5925 -0.5275 -0.5275 0.1438 0.1438 0.5977 0.5977 0.6407 0.6407 1.1101 1.1101 1.3315 1.3315 1.5323 1.5323 1.9482 1.9482 12.1818 12.1818 12.3924 12.3924 12.4964 12.4964 13.0476 13.0476 k = 0.1628 0.5000-0.0000 ( 3404 PWs) bands (ev): -20.6883 -20.6883 -19.0901 -19.0901 -18.9094 -18.9094 -17.8475 -17.8475 -17.8117 -17.8117 -5.5971 -5.5971 -4.7997 -4.7997 -4.4413 -4.4413 -3.4060 -3.4060 -1.6281 -1.6281 -0.6399 -0.6399 -0.6065 -0.6065 -0.5314 -0.5314 0.1365 0.1365 0.6022 0.6022 0.6338 0.6338 1.1362 1.1362 1.3274 1.3274 1.5583 1.5583 1.9451 1.9451 12.2439 12.2439 12.4533 12.4533 12.5295 12.5295 13.0197 13.0197 k = 0.1744 0.5000-0.0000 ( 3400 PWs) bands (ev): -20.6860 -20.6860 -19.0828 -19.0828 -18.9086 -18.9086 -17.8522 -17.8522 -17.8109 -17.8109 -5.5997 -5.5997 -4.8008 -4.8008 -4.4609 -4.4609 -3.4564 -3.4564 -1.5734 -1.5734 -0.6805 -0.6805 -0.6117 -0.6117 -0.5357 -0.5357 0.1292 0.1292 0.5755 0.5755 0.6585 0.6585 1.1631 1.1631 1.3228 1.3228 1.5831 1.5831 1.9419 1.9419 12.2925 12.2925 12.5357 12.5357 12.5647 12.5647 12.9908 12.9908 k = 0.1860 0.5000-0.0000 ( 3400 PWs) bands (ev): -20.6836 -20.6836 -19.0751 -19.0751 -18.9079 -18.9079 -17.8570 -17.8570 -17.8100 -17.8100 -5.6026 -5.6026 -4.8028 -4.8028 -4.4800 -4.4800 -3.5061 -3.5061 -1.5192 -1.5192 -0.7211 -0.7211 -0.6166 -0.6166 -0.5405 -0.5405 0.1218 0.1218 0.5477 0.5477 0.6849 0.6849 1.1904 1.1904 1.3175 1.3175 1.6068 1.6068 1.9385 1.9385 12.3307 12.3307 12.6011 12.6011 12.6368 12.6368 12.9613 12.9613 k = 0.1977 0.5000-0.0000 ( 3396 PWs) bands (ev): -20.6812 -20.6812 -19.0671 -19.0671 -18.9071 -18.9071 -17.8622 -17.8622 -17.8091 -17.8091 -5.6057 -5.6057 -4.8058 -4.8058 -4.4981 -4.4981 -3.5552 -3.5552 -1.4655 -1.4655 -0.7611 -0.7611 -0.6214 -0.6214 -0.5457 -0.5457 0.1145 0.1145 0.5209 0.5209 0.7108 0.7108 1.2181 1.2181 1.3116 1.3116 1.6293 1.6293 1.9351 1.9351 12.3634 12.3634 12.6399 12.6399 12.7505 12.7505 12.9315 12.9315 k = 0.2093 0.5000-0.0000 ( 3392 PWs) bands (ev): -20.6787 -20.6787 -19.0588 -19.0588 -18.9063 -18.9063 -17.8675 -17.8675 -17.8082 -17.8082 -5.6091 -5.6091 -4.8101 -4.8101 -4.5148 -4.5148 -3.6034 -3.6034 -1.4124 -1.4124 -0.8005 -0.8005 -0.6265 -0.6265 -0.5515 -0.5515 0.1073 0.1073 0.4955 0.4955 0.7360 0.7360 1.2459 1.2459 1.3051 1.3051 1.6507 1.6507 1.9316 1.9316 12.3933 12.3933 12.6801 12.6801 12.8713 12.8713 12.9044 12.9044 k = 0.2209 0.5000-0.0000 ( 3392 PWs) bands (ev): -20.6762 -20.6762 -19.0503 -19.0503 -18.9054 -18.9054 -17.8730 -17.8730 -17.8072 -17.8072 -5.6127 -5.6127 -4.8158 -4.8158 -4.5299 -4.5299 -3.6507 -3.6507 -1.3602 -1.3602 -0.8389 -0.8389 -0.6316 -0.6316 -0.5578 -0.5578 0.1003 0.1003 0.4715 0.4715 0.7604 0.7604 1.2736 1.2736 1.2978 1.2978 1.6708 1.6708 1.9281 1.9281 12.4222 12.4222 12.7217 12.7217 12.8692 12.8692 13.0084 13.0084 k = 0.2326 0.5000-0.0000 ( 3388 PWs) bands (ev): -20.6736 -20.6736 -19.0416 -19.0416 -18.9046 -18.9046 -17.8787 -17.8787 -17.8062 -17.8062 -5.6165 -5.6165 -4.8231 -4.8231 -4.5431 -4.5431 -3.6969 -3.6969 -1.3088 -1.3088 -0.8764 -0.8764 -0.6368 -0.6368 -0.5646 -0.5646 0.0936 0.0936 0.4490 0.4490 0.7841 0.7841 1.2898 1.2898 1.3011 1.3011 1.6898 1.6898 1.9245 1.9245 12.4506 12.4506 12.7645 12.7645 12.8395 12.8395 13.1474 13.1474 k = 0.2442 0.5000-0.0000 ( 3382 PWs) bands (ev): -20.6710 -20.6710 -19.0327 -19.0327 -18.9037 -18.9037 -17.8845 -17.8845 -17.8053 -17.8053 -5.6206 -5.6206 -4.8320 -4.8320 -4.5542 -4.5542 -3.7421 -3.7421 -1.2586 -1.2586 -0.9127 -0.9127 -0.6421 -0.6421 -0.5719 -0.5719 0.0873 0.0873 0.4281 0.4281 0.8068 0.8068 1.2811 1.2811 1.3282 1.3282 1.7076 1.7076 1.9209 1.9209 12.4790 12.4790 12.8045 12.8045 12.8137 12.8137 13.2932 13.2932 k = 0.2558 0.5000-0.0000 ( 3390 PWs) bands (ev): -20.6683 -20.6683 -19.0237 -19.0237 -18.9029 -18.9029 -17.8905 -17.8905 -17.8043 -17.8043 -5.6250 -5.6250 -4.8423 -4.8423 -4.5631 -4.5631 -3.7862 -3.7862 -1.2096 -1.2096 -0.9479 -0.9479 -0.6475 -0.6475 -0.5797 -0.5797 0.0814 0.0814 0.4087 0.4087 0.8288 0.8288 1.2717 1.2717 1.3548 1.3548 1.7243 1.7243 1.9173 1.9173 12.5076 12.5076 12.7797 12.7797 12.8541 12.8541 13.4449 13.4449 k = 0.2674 0.5000-0.0000 ( 3394 PWs) bands (ev): -20.6657 -20.6657 -19.0146 -19.0146 -18.9021 -18.9021 -17.8966 -17.8966 -17.8033 -17.8033 -5.6296 -5.6296 -4.8539 -4.8539 -4.5699 -4.5699 -3.8290 -3.8290 -1.1621 -1.1621 -0.9816 -0.9816 -0.6530 -0.6530 -0.5880 -0.5880 0.0760 0.0760 0.3909 0.3909 0.8498 0.8498 1.2617 1.2617 1.3809 1.3809 1.7398 1.7398 1.9138 1.9138 12.5365 12.5365 12.7511 12.7511 12.8996 12.8996 13.6021 13.6021 k = 0.2791 0.5000-0.0000 ( 3392 PWs) bands (ev): -20.6631 -20.6631 -19.0054 -19.0054 -18.9012 -18.9012 -17.9027 -17.9027 -17.8024 -17.8024 -5.6344 -5.6344 -4.8665 -4.8665 -4.5749 -4.5749 -3.8704 -3.8704 -1.1167 -1.1167 -1.0134 -1.0134 -0.6584 -0.6584 -0.5966 -0.5966 0.0711 0.0711 0.3746 0.3746 0.8700 0.8700 1.2511 1.2511 1.4061 1.4061 1.7542 1.7542 1.9103 1.9103 12.5655 12.5655 12.7232 12.7232 12.9457 12.9457 13.7641 13.7641 k = 0.2907 0.5000-0.0000 ( 3400 PWs) bands (ev): -20.6606 -20.6606 -18.9962 -18.9962 -18.9004 -18.9004 -17.9089 -17.9089 -17.8014 -17.8014 -5.6394 -5.6394 -4.8798 -4.8798 -4.5781 -4.5781 -3.9105 -3.9105 -1.0780 -1.0780 -1.0386 -1.0386 -0.6638 -0.6638 -0.6055 -0.6055 0.0669 0.0669 0.3598 0.3598 0.8892 0.8892 1.2398 1.2398 1.4306 1.4306 1.7675 1.7675 1.9069 1.9069 12.5948 12.5948 12.6962 12.6962 12.9922 12.9922 13.9292 13.9292 k = 0.3023 0.5000-0.0000 ( 3400 PWs) bands (ev): -20.6581 -20.6581 -18.9871 -18.9871 -18.8996 -18.8996 -17.9151 -17.9151 -17.8005 -17.8005 -5.6446 -5.6446 -4.8935 -4.8935 -4.5799 -4.5799 -3.9491 -3.9491 -1.0828 -1.0828 -1.0206 -1.0206 -0.6692 -0.6692 -0.6146 -0.6146 0.0632 0.0632 0.3465 0.3465 0.9076 0.9076 1.2281 1.2281 1.4541 1.4541 1.7798 1.7798 1.9036 1.9036 12.6241 12.6241 12.6702 12.6702 13.0386 13.0386 13.9224 13.9224 k = 0.3140 0.5000-0.0000 ( 3396 PWs) bands (ev): -20.6556 -20.6556 -18.9781 -18.9781 -18.8988 -18.8988 -17.9212 -17.9212 -17.7996 -17.7996 -5.6500 -5.6500 -4.9072 -4.9072 -4.5805 -4.5805 -3.9862 -3.9862 -1.1089 -1.1089 -0.9816 -0.9816 -0.6745 -0.6745 -0.6239 -0.6239 0.0603 0.0603 0.3345 0.3345 0.9250 0.9250 1.2159 1.2159 1.4767 1.4767 1.7911 1.7911 1.9004 1.9004 12.6455 12.6455 12.6534 12.6534 13.0849 13.0849 13.8811 13.8811 k = 0.3256 0.5000-0.0000 ( 3400 PWs) bands (ev): -20.6532 -20.6532 -18.9693 -18.9693 -18.8980 -18.8980 -17.9273 -17.9273 -17.7987 -17.7987 -5.6555 -5.6555 -4.9207 -4.9207 -4.5801 -4.5801 -4.0216 -4.0216 -1.1354 -1.1354 -0.9427 -0.9427 -0.6797 -0.6797 -0.6332 -0.6332 0.0581 0.0581 0.3238 0.3238 0.9415 0.9415 1.2033 1.2033 1.4982 1.4982 1.8013 1.8013 1.8973 1.8973 12.6220 12.6220 12.6826 12.6826 13.1306 13.1306 13.8418 13.8418 k = 0.3372 0.5000-0.0000 ( 3396 PWs) bands (ev): -20.6509 -20.6509 -18.9607 -18.9607 -18.8973 -18.8973 -17.9332 -17.9332 -17.7979 -17.7979 -5.6610 -5.6610 -4.9338 -4.9338 -4.5790 -4.5790 -4.0553 -4.0553 -1.1608 -1.1608 -0.9054 -0.9054 -0.6847 -0.6847 -0.6424 -0.6424 0.0566 0.0566 0.3144 0.3144 0.9570 0.9570 1.1905 1.1905 1.5185 1.5185 1.8106 1.8106 1.8945 1.8945 12.5998 12.5998 12.7114 12.7114 13.1756 13.1756 13.8048 13.8048 k = 0.3488 0.5000-0.0000 ( 3386 PWs) bands (ev): -20.6487 -20.6487 -18.9523 -18.9523 -18.8966 -18.8966 -17.9390 -17.9390 -17.7970 -17.7970 -5.6666 -5.6666 -4.9462 -4.9462 -4.5772 -4.5772 -4.0872 -4.0872 -1.1847 -1.1847 -0.8701 -0.8701 -0.6896 -0.6896 -0.6514 -0.6514 0.0558 0.0558 0.3061 0.3061 0.9715 0.9715 1.1775 1.1775 1.5377 1.5377 1.8190 1.8190 1.8918 1.8918 12.5790 12.5790 12.7398 12.7398 13.2195 13.2195 13.7701 13.7701 k = 0.3605 0.5000-0.0000 ( 3390 PWs) bands (ev): -20.6466 -20.6466 -18.9443 -18.9443 -18.8959 -18.8959 -17.9446 -17.9446 -17.7963 -17.7963 -5.6722 -5.6722 -4.9578 -4.9578 -4.5751 -4.5751 -4.1174 -4.1174 -1.2071 -1.2071 -0.8372 -0.8372 -0.6943 -0.6943 -0.6601 -0.6601 0.0558 0.0558 0.2989 0.2989 0.9850 0.9850 1.1644 1.1644 1.5556 1.5556 1.8264 1.8264 1.8894 1.8894 12.5596 12.5596 12.7675 12.7675 13.2620 13.2620 13.7377 13.7377 k = 0.3721 0.5000-0.0000 ( 3394 PWs) bands (ev): -20.6447 -20.6447 -18.9367 -18.9367 -18.8953 -18.8953 -17.9500 -17.9500 -17.7956 -17.7956 -5.6777 -5.6777 -4.9685 -4.9685 -4.5727 -4.5727 -4.1455 -4.1455 -1.2279 -1.2279 -0.8067 -0.8067 -0.6988 -0.6988 -0.6684 -0.6684 0.0565 0.0565 0.2926 0.2926 0.9975 0.9975 1.1515 1.1515 1.5722 1.5722 1.8330 1.8330 1.8872 1.8872 12.5418 12.5418 12.7944 12.7944 13.3027 13.3027 13.7078 13.7078 k = 0.3837 0.5000-0.0000 ( 3394 PWs) bands (ev): -20.6428 -20.6428 -18.9294 -18.9294 -18.8947 -18.8947 -17.9551 -17.9551 -17.7949 -17.7949 -5.6831 -5.6831 -4.9783 -4.9783 -4.5701 -4.5701 -4.1717 -4.1717 -1.2469 -1.2469 -0.7788 -0.7788 -0.7030 -0.7030 -0.6760 -0.6760 0.0578 0.0578 0.2872 0.2872 1.0090 1.0090 1.1388 1.1388 1.5875 1.5875 1.8387 1.8387 1.8853 1.8853 12.5254 12.5254 12.8202 12.8202 13.3415 13.3415 13.6804 13.6804 k = 0.3953 0.5000-0.0000 ( 3402 PWs) bands (ev): -20.6411 -20.6411 -18.9227 -18.9227 -18.8941 -18.8941 -17.9599 -17.9599 -17.7943 -17.7943 -5.6882 -5.6882 -4.9871 -4.9871 -4.5674 -4.5674 -4.1957 -4.1957 -1.2643 -1.2643 -0.7540 -0.7540 -0.7069 -0.7069 -0.6827 -0.6827 0.0596 0.0596 0.2825 0.2825 1.0194 1.0194 1.1266 1.1266 1.6015 1.6015 1.8436 1.8436 1.8837 1.8837 12.5106 12.5106 12.8446 12.8446 13.3778 13.3778 13.6556 13.6556 k = 0.4070 0.5000-0.0000 ( 3402 PWs) bands (ev): -20.6396 -20.6396 -18.9166 -18.9166 -18.8937 -18.8937 -17.9643 -17.9643 -17.7937 -17.7937 -5.6930 -5.6930 -4.9949 -4.9949 -4.5647 -4.5647 -4.2176 -4.2176 -1.2799 -1.2799 -0.7330 -0.7330 -0.7104 -0.7104 -0.6877 -0.6877 0.0618 0.0618 0.2786 0.2786 1.0287 1.0287 1.1150 1.1150 1.6140 1.6140 1.8476 1.8476 1.8825 1.8825 12.4973 12.4973 12.8674 12.8674 13.4114 13.4114 13.6332 13.6332 k = 0.4186 0.5000-0.0000 ( 3402 PWs) bands (ev): -20.6382 -20.6382 -18.9110 -18.9110 -18.8932 -18.8932 -17.9683 -17.9683 -17.7932 -17.7932 -5.6974 -5.6974 -5.0017 -5.0017 -4.5621 -4.5621 -4.2372 -4.2372 -1.2938 -1.2938 -0.7193 -0.7193 -0.7125 -0.7125 -0.6886 -0.6886 0.0644 0.0644 0.2754 0.2754 1.0370 1.0370 1.1041 1.1041 1.6251 1.6251 1.8508 1.8508 1.8817 1.8817 12.4855 12.4855 12.8883 12.8883 13.4419 13.4419 13.6135 13.6135 k = 0.4302 0.5000-0.0000 ( 3406 PWs) bands (ev): -20.6370 -20.6370 -18.9060 -18.9060 -18.8928 -18.8928 -17.9718 -17.9718 -17.7927 -17.7927 -5.7015 -5.7015 -5.0075 -5.0075 -4.5597 -4.5597 -4.2544 -4.2544 -1.3058 -1.3058 -0.7188 -0.7188 -0.7111 -0.7111 -0.6813 -0.6813 0.0671 0.0671 0.2727 0.2727 1.0442 1.0442 1.0943 1.0943 1.6348 1.6348 1.8532 1.8532 1.8812 1.8812 12.4753 12.4753 12.9072 12.9072 13.4691 13.4691 13.5964 13.5964 k = 0.4419 0.5000-0.0000 ( 3402 PWs) bands (ev): -20.6360 -20.6360 -18.9018 -18.9018 -18.8925 -18.8925 -17.9749 -17.9749 -17.7924 -17.7924 -5.7050 -5.7050 -5.0123 -5.0123 -4.5575 -4.5575 -4.2692 -4.2692 -1.3161 -1.3161 -0.7213 -0.7213 -0.7125 -0.7125 -0.6697 -0.6697 0.0698 0.0698 0.2705 0.2705 1.0502 1.0502 1.0856 1.0856 1.6430 1.6430 1.8550 1.8550 1.8810 1.8810 12.4667 12.4667 12.9236 12.9236 13.4926 13.4926 13.5819 13.5819 k = 0.4535 0.5000-0.0000 ( 3406 PWs) bands (ev): -20.6351 -20.6351 -18.8982 -18.8982 -18.8922 -18.8922 -17.9775 -17.9775 -17.7920 -17.7920 -5.7079 -5.7079 -5.0162 -5.0162 -4.5555 -4.5555 -4.2814 -4.2814 -1.3245 -1.3245 -0.7238 -0.7238 -0.7148 -0.7148 -0.6588 -0.6588 0.0722 0.0722 0.2688 0.2688 1.0552 1.0552 1.0782 1.0782 1.6498 1.6498 1.8562 1.8562 1.8811 1.8811 12.4597 12.4597 12.9375 12.9375 13.5122 13.5122 13.5701 13.5701 k = 0.4651 0.5000-0.0000 ( 3410 PWs) bands (ev): -20.6344 -20.6344 -18.8955 -18.8955 -18.8919 -18.8919 -17.9795 -17.9795 -17.7918 -17.7918 -5.7103 -5.7103 -5.0192 -5.0192 -4.5540 -4.5540 -4.2911 -4.2911 -1.3310 -1.3310 -0.7260 -0.7260 -0.7168 -0.7168 -0.6500 -0.6500 0.0743 0.0743 0.2675 0.2675 1.0590 1.0590 1.0723 1.0723 1.6551 1.6551 1.8569 1.8569 1.8813 1.8813 12.4542 12.4542 12.9485 12.9485 13.5275 13.5275 13.5611 13.5611 k = 0.4767 0.5000-0.0000 ( 3406 PWs) bands (ev): -20.6339 -20.6339 -18.8936 -18.8936 -18.8916 -18.8916 -17.9809 -17.9809 -17.7916 -17.7916 -5.7120 -5.7120 -5.0213 -5.0213 -4.5528 -4.5528 -4.2980 -4.2980 -1.3357 -1.3357 -0.7277 -0.7277 -0.7182 -0.7182 -0.6435 -0.6435 0.0760 0.0760 0.2667 0.2667 1.0615 1.0615 1.0683 1.0683 1.6588 1.6588 1.8574 1.8574 1.8815 1.8815 12.4503 12.4503 12.9565 12.9565 13.5380 13.5380 13.5552 13.5552 k = 0.4884 0.5000-0.0000 ( 3402 PWs) bands (ev): -20.6337 -20.6337 -18.8926 -18.8926 -18.8913 -18.8913 -17.9818 -17.9818 -17.7915 -17.7915 -5.7130 -5.7130 -5.0225 -5.0225 -4.5521 -4.5521 -4.3022 -4.3022 -1.3385 -1.3385 -0.7287 -0.7287 -0.7191 -0.7191 -0.6396 -0.6396 0.0770 0.0770 0.2661 0.2661 1.0624 1.0624 1.0663 1.0663 1.6611 1.6611 1.8576 1.8576 1.8817 1.8817 12.4480 12.4480 12.9614 12.9614 13.5430 13.5430 13.5530 13.5530 k = 0.5000 0.5000-0.0000 ( 3400 PWs) bands (ev): -20.6336 -20.6336 -18.8924 -18.8924 -18.8911 -18.8911 -17.9821 -17.9821 -17.7915 -17.7915 -5.7134 -5.7134 -5.0229 -5.0229 -4.5519 -4.5519 -4.3036 -4.3036 -1.3394 -1.3394 -0.7290 -0.7290 -0.7194 -0.7194 -0.6383 -0.6383 0.0774 0.0774 0.2660 0.2660 1.0624 1.0624 1.0661 1.0661 1.6618 1.6618 1.8577 1.8577 1.8818 1.8818 12.4472 12.4472 12.9630 12.9630 13.5438 13.5438 13.5532 13.5532 k = 0.5000 0.5000-0.0000 ( 3400 PWs) bands (ev): -20.6336 -20.6336 -18.8924 -18.8924 -18.8911 -18.8911 -17.9821 -17.9821 -17.7915 -17.7915 -5.7134 -5.7134 -5.0229 -5.0229 -4.5519 -4.5519 -4.3036 -4.3036 -1.3394 -1.3394 -0.7290 -0.7290 -0.7194 -0.7194 -0.6383 -0.6383 0.0774 0.0774 0.2660 0.2660 1.0624 1.0624 1.0661 1.0661 1.6618 1.6618 1.8577 1.8577 1.8818 1.8818 12.4472 12.4472 12.9630 12.9630 13.5438 13.5438 13.5532 13.5532 k = 0.4918 0.4918-0.0000 ( 3403 PWs) bands (ev): -20.6337 -20.6337 -18.8928 -18.8928 -18.8912 -18.8912 -17.9818 -17.9818 -17.7915 -17.7915 -5.7130 -5.7130 -5.0225 -5.0225 -4.5521 -4.5521 -4.3022 -4.3022 -1.3385 -1.3385 -0.7287 -0.7287 -0.7191 -0.7191 -0.6396 -0.6396 0.0770 0.0770 0.2661 0.2661 1.0626 1.0626 1.0662 1.0662 1.6611 1.6611 1.8576 1.8576 1.8817 1.8817 12.4480 12.4480 12.9614 12.9614 13.5432 13.5432 13.5528 13.5528 k = 0.4836 0.4836-0.0000 ( 3409 PWs) bands (ev): -20.6339 -20.6339 -18.8946 -18.8946 -18.8906 -18.8906 -17.9810 -17.9810 -17.7916 -17.7916 -5.7120 -5.7120 -5.0213 -5.0213 -4.5528 -4.5528 -4.2980 -4.2980 -1.3357 -1.3357 -0.7277 -0.7277 -0.7182 -0.7182 -0.6435 -0.6435 0.0760 0.0760 0.2666 0.2666 1.0630 1.0630 1.0667 1.0667 1.6589 1.6589 1.8574 1.8574 1.8815 1.8815 12.4502 12.4502 12.9566 12.9566 13.5401 13.5401 13.5531 13.5531 k = 0.4754 0.4754-0.0000 ( 3409 PWs) bands (ev): -20.6344 -20.6344 -18.8980 -18.8980 -18.8894 -18.8894 -17.9795 -17.9795 -17.7918 -17.7918 -5.7103 -5.7103 -5.0192 -5.0192 -4.5540 -4.5540 -4.2911 -4.2911 -1.3311 -1.3311 -0.7264 -0.7264 -0.7164 -0.7164 -0.6499 -0.6499 0.0742 0.0742 0.2675 0.2675 1.0635 1.0635 1.0678 1.0678 1.6551 1.6551 1.8570 1.8570 1.8812 1.8812 12.4537 12.4537 12.9490 12.9490 13.5332 13.5332 13.5554 13.5554 k = 0.4672 0.4672-0.0000 ( 3405 PWs) bands (ev): -20.6351 -20.6351 -18.9027 -18.9027 -18.8877 -18.8877 -17.9775 -17.9775 -17.7920 -17.7920 -5.7079 -5.7079 -5.0163 -5.0163 -4.5556 -4.5556 -4.2816 -4.2816 -1.3245 -1.3245 -0.7249 -0.7249 -0.7138 -0.7138 -0.6586 -0.6586 0.0719 0.0719 0.2688 0.2688 1.0640 1.0640 1.0696 1.0696 1.6500 1.6500 1.8564 1.8564 1.8809 1.8809 12.4581 12.4581 12.9388 12.9388 13.5229 13.5229 13.5595 13.5595 k = 0.4590 0.4590-0.0000 ( 3401 PWs) bands (ev): -20.6360 -20.6360 -18.9087 -18.9087 -18.8855 -18.8855 -17.9750 -17.9750 -17.7924 -17.7924 -5.7048 -5.7048 -5.0125 -5.0125 -4.5575 -4.5575 -4.2694 -4.2694 -1.3162 -1.3162 -0.7236 -0.7236 -0.7103 -0.7103 -0.6692 -0.6692 0.0690 0.0690 0.2706 0.2706 1.0643 1.0643 1.0721 1.0721 1.6434 1.6434 1.8555 1.8555 1.8804 1.8804 12.4629 12.4629 12.9269 12.9269 13.5097 13.5097 13.5652 13.5652 k = 0.4508 0.4508-0.0000 ( 3403 PWs) bands (ev): -20.6370 -20.6370 -18.9160 -18.9160 -18.8827 -18.8827 -17.9719 -17.9719 -17.7927 -17.7927 -5.7010 -5.7010 -5.0079 -5.0079 -4.5598 -4.5598 -4.2548 -4.2548 -1.3060 -1.3060 -0.7229 -0.7229 -0.7074 -0.7074 -0.6802 -0.6802 0.0655 0.0655 0.2728 0.2728 1.0645 1.0645 1.0752 1.0752 1.6355 1.6355 1.8543 1.8543 1.8800 1.8800 12.4671 12.4671 12.9141 12.9141 13.4939 13.4939 13.5723 13.5723 k = 0.4426 0.4426-0.0000 ( 3403 PWs) bands (ev): -20.6383 -20.6383 -18.9245 -18.9245 -18.8795 -18.8795 -17.9684 -17.9684 -17.7932 -17.7932 -5.6966 -5.6966 -5.0024 -5.0024 -4.5624 -4.5624 -4.2377 -4.2377 -1.2941 -1.2941 -0.7237 -0.7237 -0.7098 -0.7098 -0.6856 -0.6856 0.0615 0.0615 0.2756 0.2756 1.0646 1.0646 1.0789 1.0789 1.6264 1.6264 1.8527 1.8527 1.8795 1.8795 12.4697 12.4697 12.9017 12.9017 13.4759 13.4759 13.5807 13.5807 k = 0.4344 0.4344-0.0000 ( 3401 PWs) bands (ev): -20.6397 -20.6397 -18.9341 -18.9341 -18.8758 -18.8758 -17.9644 -17.9644 -17.7937 -17.7937 -5.6915 -5.6915 -4.9960 -4.9960 -4.5652 -4.5652 -4.2184 -4.2184 -1.2803 -1.2803 -0.7322 -0.7322 -0.7155 -0.7155 -0.6815 -0.6815 0.0571 0.0571 0.2790 0.2790 1.0646 1.0646 1.0830 1.0830 1.6160 1.6160 1.8507 1.8507 1.8790 1.8790 12.4692 12.4692 12.8912 12.8912 13.4560 13.4560 13.5905 13.5905 k = 0.4262 0.4262-0.0000 ( 3405 PWs) bands (ev): -20.6414 -20.6414 -18.9449 -18.9449 -18.8716 -18.8716 -17.9601 -17.9601 -17.7943 -17.7943 -5.6858 -5.6858 -4.9887 -4.9887 -4.5682 -4.5682 -4.1968 -4.1968 -1.2648 -1.2648 -0.7508 -0.7508 -0.7167 -0.7167 -0.6733 -0.6733 0.0523 0.0523 0.2831 0.2831 1.0645 1.0645 1.0876 1.0876 1.6046 1.6046 1.8482 1.8482 1.8785 1.8785 12.4641 12.4641 12.8843 12.8843 13.4345 13.4345 13.6016 13.6016 k = 0.4180 0.4180-0.0000 ( 3401 PWs) bands (ev): -20.6432 -20.6432 -18.9566 -18.9566 -18.8669 -18.8669 -17.9553 -17.9553 -17.7950 -17.7950 -5.6795 -5.6795 -4.9806 -4.9806 -4.5713 -4.5713 -4.1732 -4.1732 -1.2475 -1.2475 -0.7738 -0.7738 -0.7169 -0.7169 -0.6631 -0.6631 0.0473 0.0473 0.2880 0.2880 1.0642 1.0642 1.0925 1.0925 1.5922 1.5922 1.8452 1.8452 1.8779 1.8779 12.4528 12.4528 12.8827 12.8827 13.4119 13.4119 13.6141 13.6141 k = 0.4098 0.4098-0.0000 ( 3413 PWs) bands (ev): -20.6452 -20.6452 -18.9693 -18.9693 -18.8619 -18.8619 -17.9503 -17.9503 -17.7957 -17.7957 -5.6725 -5.6725 -4.9715 -4.9715 -4.5745 -4.5745 -4.1477 -4.1477 -1.2286 -1.2286 -0.7998 -0.7998 -0.7172 -0.7172 -0.6515 -0.6515 0.0422 0.0422 0.2937 0.2937 1.0638 1.0638 1.0978 1.0978 1.5788 1.5788 1.8417 1.8417 1.8771 1.8771 12.4342 12.4342 12.8874 12.8874 13.3885 13.3885 13.6280 13.6280 k = 0.4016 0.4016-0.0000 ( 3405 PWs) bands (ev): -20.6474 -20.6474 -18.9829 -18.9829 -18.8563 -18.8563 -17.9449 -17.9449 -17.7965 -17.7965 -5.6650 -5.6650 -4.9615 -4.9615 -4.5778 -4.5778 -4.1204 -4.1204 -1.2079 -1.2079 -0.8282 -0.8282 -0.7177 -0.7177 -0.6386 -0.6386 0.0369 0.0369 0.3004 0.3004 1.0633 1.0633 1.1033 1.1033 1.5647 1.5647 1.8377 1.8377 1.8762 1.8762 12.4078 12.4078 12.8990 12.8990 13.3646 13.3646 13.6432 13.6432 k = 0.3934 0.3934-0.0000 ( 3411 PWs) bands (ev): -20.6498 -20.6498 -18.9973 -18.9973 -18.8504 -18.8504 -17.9393 -17.9393 -17.7973 -17.7973 -5.6570 -5.6570 -4.9506 -4.9506 -4.5811 -4.5811 -4.0913 -4.0913 -1.1857 -1.1857 -0.8588 -0.8588 -0.7187 -0.7187 -0.6245 -0.6245 0.0317 0.0317 0.3079 0.3079 1.0625 1.0625 1.1089 1.1089 1.5500 1.5500 1.8332 1.8332 1.8750 1.8750 12.3740 12.3740 12.9171 12.9171 13.3405 13.3405 13.6598 13.6598 k = 0.3852 0.3852-0.0000 ( 3401 PWs) bands (ev): -20.6523 -20.6523 -19.0125 -19.0125 -18.8440 -18.8440 -17.9335 -17.9335 -17.7982 -17.7982 -5.6484 -5.6484 -4.9389 -4.9389 -4.5843 -4.5843 -4.0607 -4.0607 -1.1619 -1.1619 -0.8914 -0.8914 -0.7203 -0.7203 -0.6093 -0.6093 0.0265 0.0265 0.3166 0.3166 1.0617 1.0617 1.1146 1.1146 1.5348 1.5348 1.8282 1.8282 1.8735 1.8735 12.3335 12.3335 12.9410 12.9410 13.3167 13.3167 13.6777 13.6777 k = 0.3770 0.3770-0.0000 ( 3409 PWs) bands (ev): -20.6551 -20.6551 -19.0283 -19.0283 -18.8373 -18.8373 -17.9274 -17.9274 -17.7992 -17.7992 -5.6393 -5.6393 -4.9262 -4.9262 -4.5874 -4.5874 -4.0287 -4.0287 -1.1366 -1.1366 -0.9259 -0.9259 -0.7225 -0.7225 -0.5930 -0.5930 0.0215 0.0215 0.3262 0.3262 1.0606 1.0606 1.1203 1.1203 1.5192 1.5192 1.8227 1.8227 1.8715 1.8715 12.2871 12.2871 12.9697 12.9697 13.2934 13.2934 13.6970 13.6970 k = 0.3689 0.3689-0.0000 ( 3405 PWs) bands (ev): -20.6580 -20.6580 -19.0447 -19.0447 -18.8301 -18.8301 -17.9213 -17.9213 -17.8002 -17.8002 -5.6298 -5.6298 -4.9128 -4.9128 -4.5903 -4.5903 -3.9954 -3.9954 -1.1102 -1.1102 -0.9620 -0.9620 -0.7253 -0.7253 -0.5756 -0.5756 0.0167 0.0167 0.3370 0.3370 1.0593 1.0593 1.1260 1.1260 1.5035 1.5035 1.8167 1.8167 1.8691 1.8691 12.2355 12.2355 13.0022 13.0022 13.2709 13.2709 13.7178 13.7178 k = 0.3607 0.3607-0.0000 ( 3403 PWs) bands (ev): -20.6611 -20.6611 -19.0617 -19.0617 -18.8226 -18.8226 -17.9150 -17.9150 -17.8012 -17.8012 -5.6198 -5.6198 -4.8985 -4.8985 -4.5931 -4.5931 -3.9609 -3.9609 -1.0832 -1.0832 -0.9989 -0.9989 -0.7289 -0.7289 -0.5572 -0.5572 0.0122 0.0122 0.3488 0.3488 1.0580 1.0580 1.1314 1.1314 1.4877 1.4877 1.8102 1.8102 1.8662 1.8662 12.1795 12.1795 13.0374 13.0374 13.2496 13.2496 13.7399 13.7399 k = 0.3525 0.3525-0.0000 ( 3401 PWs) bands (ev): -20.6644 -20.6644 -19.0792 -19.0792 -18.8148 -18.8148 -17.9086 -17.9086 -17.8024 -17.8024 -5.6095 -5.6095 -4.8834 -4.8834 -4.5956 -4.5956 -3.9254 -3.9254 -1.0630 -1.0630 -1.0293 -1.0293 -0.7332 -0.7332 -0.5378 -0.5378 0.0081 0.0081 0.3617 0.3617 1.0566 1.0566 1.1364 1.1364 1.4722 1.4722 1.8032 1.8032 1.8627 1.8627 12.1195 12.1195 13.0744 13.0744 13.2297 13.2297 13.7635 13.7635 k = 0.3443 0.3443-0.0000 ( 3399 PWs) bands (ev): -20.6678 -20.6678 -19.0971 -19.0971 -18.8066 -18.8066 -17.9021 -17.9021 -17.8035 -17.8035 -5.5988 -5.5988 -4.8675 -4.8675 -4.5978 -4.5978 -3.8890 -3.8890 -1.0877 -1.0877 -1.0149 -1.0149 -0.7382 -0.7382 -0.5174 -0.5174 0.0044 0.0044 0.3758 0.3758 1.0551 1.0551 1.1409 1.1409 1.4570 1.4570 1.7956 1.7956 1.8585 1.8585 12.0560 12.0560 13.1121 13.1121 13.2114 13.2114 13.7884 13.7884 k = 0.3361 0.3361-0.0000 ( 3399 PWs) bands (ev): -20.6714 -20.6714 -19.1153 -19.1153 -18.7981 -18.7981 -17.8956 -17.8956 -17.8047 -17.8047 -5.5879 -5.5879 -4.8510 -4.8510 -4.5997 -4.5997 -3.8517 -3.8517 -1.1287 -1.1287 -0.9846 -0.9846 -0.7439 -0.7439 -0.4960 -0.4960 0.0013 0.0013 0.3908 0.3908 1.0536 1.0536 1.1448 1.1448 1.4424 1.4424 1.7875 1.7875 1.8536 1.8536 11.9892 11.9892 13.1492 13.1492 13.1951 13.1951 13.8148 13.8148 k = 0.3279 0.3279-0.0000 ( 3395 PWs) bands (ev): -20.6752 -20.6752 -19.1338 -19.1338 -18.7893 -18.7893 -17.8890 -17.8890 -17.8060 -17.8060 -5.5767 -5.5767 -4.8337 -4.8337 -4.6012 -4.6012 -3.8138 -3.8138 -1.1722 -1.1722 -0.9518 -0.9518 -0.7504 -0.7504 -0.4736 -0.4736 -0.0014 -0.0014 0.4069 0.4069 1.0523 1.0523 1.1478 1.1478 1.4287 1.4287 1.7789 1.7789 1.8479 1.8479 11.9195 11.9195 13.1799 13.1799 13.1850 13.1850 13.8426 13.8426 k = 0.3197 0.3197-0.0000 ( 3395 PWs) bands (ev): -20.6791 -20.6791 -19.1525 -19.1525 -18.7803 -18.7803 -17.8824 -17.8824 -17.8073 -17.8073 -5.5652 -5.5652 -4.8159 -4.8159 -4.6023 -4.6023 -3.7754 -3.7754 -1.2172 -1.2172 -0.9178 -0.9178 -0.7575 -0.7575 -0.4504 -0.4504 -0.0034 -0.0034 0.4239 0.4239 1.0511 1.0511 1.1497 1.1497 1.4162 1.4162 1.7698 1.7698 1.8415 1.8415 11.8470 11.8470 13.1686 13.1686 13.2152 13.2152 13.8717 13.8717 k = 0.3115 0.3115-0.0000 ( 3391 PWs) bands (ev): -20.6831 -20.6831 -19.1714 -19.1714 -18.7710 -18.7710 -17.8758 -17.8758 -17.8086 -17.8086 -5.5536 -5.5536 -4.7974 -4.7974 -4.6029 -4.6029 -3.7365 -3.7365 -1.2634 -1.2634 -0.8828 -0.8828 -0.7652 -0.7652 -0.4262 -0.4262 -0.0047 -0.0047 0.4418 0.4418 1.0502 1.0502 1.1503 1.1503 1.4050 1.4050 1.7601 1.7601 1.8342 1.8342 11.7720 11.7720 13.1590 13.1590 13.2396 13.2396 13.9004 13.9004 k = 0.3033 0.3033-0.0000 ( 3393 PWs) bands (ev): -20.6873 -20.6873 -19.1904 -19.1904 -18.7615 -18.7615 -17.8692 -17.8692 -17.8100 -17.8100 -5.5419 -5.5419 -4.7785 -4.7785 -4.6031 -4.6031 -3.6973 -3.6973 -1.3105 -1.3105 -0.8474 -0.8474 -0.7734 -0.7734 -0.4012 -0.4012 -0.0053 -0.0053 0.4605 0.4605 1.0496 1.0496 1.1494 1.1494 1.3955 1.3955 1.7498 1.7498 1.8261 1.8261 11.6945 11.6945 13.1520 13.1520 13.2548 13.2548 13.7955 13.7955 k = 0.2951 0.2951-0.0000 ( 3395 PWs) bands (ev): -20.6916 -20.6916 -19.2094 -19.2094 -18.7518 -18.7518 -17.8627 -17.8627 -17.8114 -17.8114 -5.5302 -5.5302 -4.7592 -4.7592 -4.6029 -4.6029 -3.6578 -3.6578 -1.3584 -1.3584 -0.8124 -0.8124 -0.7811 -0.7811 -0.3753 -0.3753 -0.0051 -0.0051 0.4800 0.4800 1.0496 1.0496 1.1469 1.1469 1.3878 1.3878 1.7390 1.7390 1.8171 1.8171 11.6148 11.6148 13.1477 13.1477 13.2577 13.2577 13.6672 13.6672 k = 0.2869 0.2869-0.0000 ( 3399 PWs) bands (ev): -20.6961 -20.6961 -19.2285 -19.2285 -18.7419 -18.7419 -17.8562 -17.8562 -17.8128 -17.8128 -5.5184 -5.5184 -4.7395 -4.7395 -4.6021 -4.6021 -3.6182 -3.6182 -1.4070 -1.4070 -0.7955 -0.7955 -0.7710 -0.7710 -0.3486 -0.3486 -0.0039 -0.0039 0.5001 0.5001 1.0501 1.0501 1.1426 1.1426 1.3820 1.3820 1.7275 1.7275 1.8073 1.8073 11.5329 11.5329 13.1462 13.1462 13.2460 13.2460 13.5402 13.5402 k = 0.2787 0.2787-0.0000 ( 3399 PWs) bands (ev): -20.7006 -20.7006 -19.2475 -19.2475 -18.7319 -18.7319 -17.8497 -17.8497 -17.8142 -17.8142 -5.5066 -5.5066 -4.7195 -4.7195 -4.6007 -4.6007 -3.5785 -3.5785 -1.4560 -1.4560 -0.8036 -0.8036 -0.7366 -0.7366 -0.3211 -0.3211 -0.0017 -0.0017 0.5208 0.5208 1.0514 1.0514 1.1367 1.1367 1.3782 1.3782 1.7155 1.7155 1.7965 1.7965 11.4489 11.4489 13.1474 13.1474 13.2188 13.2188 13.4151 13.4151 k = 0.2705 0.2705-0.0000 ( 3383 PWs) bands (ev): -20.7052 -20.7052 -19.2665 -19.2665 -18.7217 -18.7217 -17.8433 -17.8433 -17.8157 -17.8157 -5.4949 -5.4949 -4.6992 -4.6992 -4.5988 -4.5988 -3.5388 -3.5388 -1.5054 -1.5054 -0.8135 -0.8135 -0.7011 -0.7011 -0.2929 -0.2929 0.0019 0.0019 0.5420 0.5420 1.0536 1.0536 1.1291 1.1291 1.3763 1.3763 1.7029 1.7029 1.7849 1.7849 11.3631 11.3631 13.1506 13.1506 13.1774 13.1774 13.2927 13.2927 k = 0.2623 0.2623-0.0000 ( 3391 PWs) bands (ev): -20.7099 -20.7099 -19.2853 -19.2853 -18.7114 -18.7114 -17.8369 -17.8369 -17.8172 -17.8172 -5.4833 -5.4833 -4.6789 -4.6789 -4.5964 -4.5964 -3.4991 -3.4991 -1.5550 -1.5550 -0.8240 -0.8240 -0.6664 -0.6664 -0.2639 -0.2639 0.0069 0.0069 0.5635 0.5635 1.0567 1.0567 1.1202 1.1202 1.3761 1.3761 1.6897 1.6897 1.7724 1.7724 11.2756 11.2756 13.1165 13.1165 13.1592 13.1592 13.1775 13.1775 k = 0.2541 0.2541-0.0000 ( 3389 PWs) bands (ev): -20.7147 -20.7147 -19.3039 -19.3039 -18.7011 -18.7011 -17.8306 -17.8306 -17.8187 -17.8187 -5.4718 -5.4718 -4.6586 -4.6586 -4.5933 -4.5933 -3.4595 -3.4595 -1.6047 -1.6047 -0.8347 -0.8347 -0.6331 -0.6331 -0.2343 -0.2343 0.0138 0.0138 0.5853 0.5853 1.0608 1.0608 1.1102 1.1102 1.3774 1.3774 1.6759 1.6759 1.7591 1.7591 11.1866 11.1866 13.0314 13.0314 13.0798 13.0798 13.1711 13.1711 k = 0.2459 0.2459-0.0000 ( 3391 PWs) bands (ev): -20.7196 -20.7196 -19.3223 -19.3223 -18.6907 -18.6907 -17.8244 -17.8244 -17.8201 -17.8201 -5.4606 -5.4606 -4.6385 -4.6385 -4.5895 -4.5895 -3.4201 -3.4201 -1.6543 -1.6543 -0.8457 -0.8457 -0.6018 -0.6018 -0.2040 -0.2040 0.0229 0.0229 0.6074 0.6074 1.0659 1.0659 1.0995 1.0995 1.3799 1.3799 1.6615 1.6615 1.7450 1.7450 11.0962 11.0962 12.9211 12.9211 13.0056 13.0056 13.1843 13.1843 k = 0.2377 0.2377-0.0000 ( 3399 PWs) bands (ev): -20.7245 -20.7245 -19.3405 -19.3405 -18.6803 -18.6803 -17.8217 -17.8217 -17.8183 -17.8183 -5.4495 -5.4495 -4.6190 -4.6190 -4.5847 -4.5847 -3.3809 -3.3809 -1.7038 -1.7038 -0.8568 -0.8568 -0.5732 -0.5732 -0.1730 -0.1730 0.0346 0.0346 0.6296 0.6296 1.0714 1.0714 1.0890 1.0890 1.3835 1.3835 1.6464 1.6464 1.7300 1.7300 11.0047 11.0047 12.8074 12.8074 12.9337 12.9337 13.2007 13.2007 k = 0.2295 0.2295-0.0000 ( 3395 PWs) bands (ev): -20.7294 -20.7294 -19.3584 -19.3584 -18.6699 -18.6699 -17.8232 -17.8232 -17.8123 -17.8123 -5.4387 -5.4387 -4.6010 -4.6010 -4.5780 -4.5780 -3.3419 -3.3419 -1.7530 -1.7530 -0.8679 -0.8679 -0.5479 -0.5479 -0.1415 -0.1415 0.0494 0.0494 0.6518 0.6518 1.0711 1.0711 1.0852 1.0852 1.3879 1.3879 1.6307 1.6307 1.7144 1.7144 10.9122 10.9122 12.6951 12.6951 12.8615 12.8615 13.2202 13.2202 k = 0.2213 0.2213-0.0000 ( 3389 PWs) bands (ev): -20.7344 -20.7344 -19.3759 -19.3759 -18.6596 -18.6596 -17.8247 -17.8247 -17.8063 -17.8063 -5.4281 -5.4281 -4.5871 -4.5871 -4.5670 -4.5670 -3.3031 -3.3031 -1.8016 -1.8016 -0.8790 -0.8790 -0.5265 -0.5265 -0.1094 -0.1094 0.0676 0.0676 0.6740 0.6740 1.0607 1.0607 1.0926 1.0926 1.3929 1.3929 1.6144 1.6144 1.6981 1.6981 10.8191 10.8191 12.5849 12.5849 12.7897 12.7897 13.2426 13.2426 k = 0.2131 0.2131-0.0000 ( 3393 PWs) bands (ev): -20.7393 -20.7393 -19.3931 -19.3931 -18.6493 -18.6493 -17.8262 -17.8262 -17.8005 -17.8005 -5.4178 -5.4178 -4.5782 -4.5782 -4.5509 -4.5509 -3.2646 -3.2646 -1.8497 -1.8497 -0.8901 -0.8901 -0.5094 -0.5094 -0.0769 -0.0769 0.0895 0.0895 0.6961 0.6961 1.0485 1.0485 1.1031 1.1031 1.3985 1.3985 1.5974 1.5974 1.6811 1.6811 10.7257 10.7257 12.4773 12.4773 12.7189 12.7189 13.2679 13.2679 k = 0.2049 0.2049-0.0000 ( 3395 PWs) bands (ev): -20.7443 -20.7443 -19.4098 -19.4098 -18.6391 -18.6391 -17.8277 -17.8277 -17.7949 -17.7949 -5.4078 -5.4078 -4.5714 -4.5714 -4.5327 -4.5327 -3.2264 -3.2264 -1.8971 -1.8971 -0.9011 -0.9011 -0.4969 -0.4969 -0.0439 -0.0439 0.1153 0.1153 0.7180 0.7180 1.0361 1.0361 1.1154 1.1154 1.4044 1.4044 1.5798 1.5798 1.6636 1.6636 10.6321 10.6321 12.3725 12.3725 12.6497 12.6497 13.2960 13.2960 k = 0.1967 0.1967-0.0000 ( 3391 PWs) bands (ev): -20.7492 -20.7492 -19.4261 -19.4261 -18.6291 -18.6291 -17.8291 -17.8291 -17.7893 -17.7893 -5.3981 -5.3981 -4.5650 -4.5650 -4.5142 -4.5142 -3.1885 -3.1885 -1.9437 -1.9437 -0.9119 -0.9119 -0.4891 -0.4891 -0.0104 -0.0104 0.1447 0.1447 0.7397 0.7397 1.0237 1.0237 1.1291 1.1291 1.4106 1.4106 1.5616 1.5616 1.6456 1.6456 10.5387 10.5387 12.2705 12.2705 12.5825 12.5825 13.3267 13.3267 k = 0.1885 0.1885-0.0000 ( 3395 PWs) bands (ev): -20.7541 -20.7541 -19.4420 -19.4420 -18.6191 -18.6191 -17.8306 -17.8306 -17.7839 -17.7839 -5.3888 -5.3888 -4.5587 -4.5587 -4.4958 -4.4958 -3.1509 -3.1509 -1.9893 -1.9893 -0.9225 -0.9225 -0.4859 -0.4859 0.0233 0.0233 0.1775 0.1775 0.7611 0.7611 1.0114 1.0114 1.1442 1.1442 1.4169 1.4169 1.5427 1.5427 1.6272 1.6272 10.4459 10.4459 12.1717 12.1717 12.5177 12.5177 13.3601 13.3601 k = 0.1803 0.1803-0.0000 ( 3399 PWs) bands (ev): -20.7589 -20.7589 -19.4574 -19.4574 -18.6094 -18.6094 -17.8320 -17.8320 -17.7786 -17.7786 -5.3799 -5.3799 -4.5524 -4.5524 -4.4778 -4.4778 -3.1136 -3.1136 -2.0339 -2.0339 -0.9328 -0.9328 -0.4870 -0.4870 0.0574 0.0574 0.2133 0.2133 0.7821 0.7821 0.9994 0.9994 1.1605 1.1605 1.4234 1.4234 1.5232 1.5232 1.6084 1.6084 10.3538 10.3538 12.0760 12.0760 12.4553 12.4553 13.3958 13.3958 k = 0.1721 0.1721-0.0000 ( 3399 PWs) bands (ev): -20.7636 -20.7636 -19.4723 -19.4723 -18.5999 -18.5999 -17.8334 -17.8334 -17.7735 -17.7735 -5.3712 -5.3712 -4.5459 -4.5459 -4.4602 -4.4602 -3.0768 -3.0768 -2.0773 -2.0773 -0.9428 -0.9428 -0.4919 -0.4919 0.0918 0.0918 0.2515 0.2515 0.8027 0.8027 0.9877 0.9877 1.1781 1.1781 1.4298 1.4298 1.5032 1.5032 1.5894 1.5894 10.2628 10.2628 11.9837 11.9837 12.3956 12.3956 13.4338 13.4338 k = 0.1639 0.1639-0.0000 ( 3403 PWs) bands (ev): -20.7683 -20.7683 -19.4867 -19.4867 -18.5906 -18.5906 -17.8348 -17.8348 -17.7685 -17.7685 -5.3630 -5.3630 -4.5394 -4.5394 -4.4433 -4.4433 -3.0403 -3.0403 -2.1194 -2.1194 -0.9526 -0.9526 -0.5002 -0.5002 0.1264 0.1264 0.2916 0.2916 0.8228 0.8228 0.9764 0.9764 1.1966 1.1966 1.4362 1.4362 1.4825 1.4825 1.5703 1.5703 10.1733 10.1733 11.8948 11.8948 12.3386 12.3386 13.4738 13.4738 k = 0.1557 0.1557-0.0000 ( 3399 PWs) bands (ev): -20.7729 -20.7729 -19.5004 -19.5004 -18.5815 -18.5815 -17.8361 -17.8361 -17.7638 -17.7638 -5.3551 -5.3551 -4.5329 -4.5329 -4.4270 -4.4270 -3.0043 -3.0043 -2.1601 -2.1601 -0.9619 -0.9619 -0.5115 -0.5115 0.1612 0.1612 0.3330 0.3330 0.8424 0.8424 0.9655 0.9655 1.2161 1.2161 1.4424 1.4424 1.4614 1.4614 1.5512 1.5512 10.0855 10.0855 11.8095 11.8095 12.2844 12.2844 13.5158 13.5158 k = 0.1475 0.1475-0.0000 ( 3399 PWs) bands (ev): -20.7773 -20.7773 -19.5137 -19.5137 -18.5728 -18.5728 -17.8374 -17.8374 -17.7591 -17.7591 -5.3476 -5.3476 -4.5264 -4.5264 -4.4113 -4.4113 -2.9688 -2.9688 -2.1994 -2.1994 -0.9709 -0.9709 -0.5254 -0.5254 0.1961 0.1961 0.3751 0.3751 0.8615 0.8615 0.9551 0.9551 1.2362 1.2362 1.4389 1.4389 1.4491 1.4491 1.5323 1.5323 9.9998 9.9998 11.7278 11.7278 12.2331 12.2331 13.5594 13.5594 k = 0.1393 0.1393-0.0000 ( 3405 PWs) bands (ev): -20.7816 -20.7816 -19.5263 -19.5263 -18.5643 -18.5643 -17.8386 -17.8386 -17.7547 -17.7547 -5.3405 -5.3405 -4.5200 -4.5200 -4.3964 -4.3964 -2.9339 -2.9339 -2.2370 -2.2370 -0.9795 -0.9795 -0.5413 -0.5413 0.2311 0.2311 0.4176 0.4176 0.8798 0.8798 0.9453 0.9453 1.2568 1.2568 1.4169 1.4169 1.4545 1.4545 1.5138 1.5138 9.9165 9.9165 11.6499 11.6499 12.1845 12.1845 13.6044 13.6044 k = 0.1311 0.1311-0.0000 ( 3405 PWs) bands (ev): -20.7858 -20.7858 -19.5382 -19.5382 -18.5562 -18.5562 -17.8398 -17.8398 -17.7505 -17.7505 -5.3338 -5.3338 -4.5137 -4.5137 -4.3823 -4.3823 -2.8997 -2.8997 -2.2730 -2.2730 -0.9877 -0.9877 -0.5589 -0.5589 0.2661 0.2661 0.4598 0.4598 0.8974 0.8974 0.9362 0.9362 1.2776 1.2776 1.3941 1.3941 1.4590 1.4590 1.4965 1.4965 9.8359 9.8359 11.5758 11.5758 12.1387 12.1387 13.6506 13.6506 k = 0.1230 0.1230-0.0000 ( 3407 PWs) bands (ev): -20.7897 -20.7897 -19.5496 -19.5496 -18.5485 -18.5485 -17.8409 -17.8409 -17.7465 -17.7465 -5.3274 -5.3274 -4.5075 -4.5075 -4.3689 -4.3689 -2.8662 -2.8662 -2.3073 -2.3073 -0.9954 -0.9954 -0.5779 -0.5779 0.3010 0.3010 0.5014 0.5014 0.9128 0.9128 0.9291 0.9291 1.2985 1.2985 1.3708 1.3708 1.4596 1.4596 1.4834 1.4834 9.7582 9.7582 11.5057 11.5057 12.0958 12.0958 13.6976 13.6976 k = 0.1148 0.1148-0.0000 ( 3411 PWs) bands (ev): -20.7935 -20.7935 -19.5603 -19.5603 -18.5411 -18.5411 -17.8420 -17.8420 -17.7427 -17.7427 -5.3215 -5.3215 -4.5015 -4.5015 -4.3563 -4.3563 -2.8337 -2.8337 -2.3397 -2.3397 -1.0026 -1.0026 -0.5978 -0.5978 0.3358 0.3358 0.5420 0.5420 0.9154 0.9154 0.9347 0.9347 1.3189 1.3189 1.3473 1.3473 1.4503 1.4503 1.4805 1.4805 9.6839 9.6839 11.4397 11.4397 12.0556 12.0556 13.7452 13.7452 k = 0.1066 0.1066-0.0000 ( 3415 PWs) bands (ev): -20.7972 -20.7972 -19.5703 -19.5703 -18.5342 -18.5342 -17.8430 -17.8430 -17.7391 -17.7391 -5.3160 -5.3160 -4.4958 -4.4958 -4.3445 -4.3445 -2.8022 -2.8022 -2.3702 -2.3702 -1.0094 -1.0094 -0.6183 -0.6183 0.3704 0.3704 0.5812 0.5812 0.9088 0.9088 0.9493 0.9493 1.3220 1.3220 1.3399 1.3399 1.4358 1.4358 1.4836 1.4836 9.6131 9.6131 11.3777 11.3777 12.0183 12.0183 13.7931 13.7931 k = 0.0984 0.0984-0.0000 ( 3413 PWs) bands (ev): -20.8006 -20.8006 -19.5796 -19.5796 -18.5276 -18.5276 -17.8440 -17.8440 -17.7357 -17.7357 -5.3108 -5.3108 -4.4904 -4.4904 -4.3336 -4.3336 -2.7718 -2.7718 -2.3987 -2.3987 -1.0157 -1.0157 -0.6390 -0.6390 0.4046 0.4046 0.6187 0.6187 0.9019 0.9019 0.9641 0.9641 1.2981 1.2981 1.3576 1.3576 1.4213 1.4213 1.4882 1.4882 9.5463 9.5463 11.3201 11.3201 11.9837 11.9837 13.8407 13.8407 k = 0.0902 0.0902-0.0000 ( 3405 PWs) bands (ev): -20.8037 -20.8037 -19.5882 -19.5882 -18.5215 -18.5215 -17.8449 -17.8449 -17.7326 -17.7326 -5.3061 -5.3061 -4.4853 -4.4853 -4.3235 -4.3235 -2.7428 -2.7428 -2.4252 -2.4252 -1.0214 -1.0214 -0.6596 -0.6596 0.4384 0.4384 0.6542 0.6542 0.8954 0.8954 0.9784 0.9784 1.2735 1.2735 1.3710 1.3710 1.4111 1.4111 1.4931 1.4931 9.4836 9.4836 11.2667 11.2667 11.9520 11.9520 13.8873 13.8873 k = 0.0820 0.0820-0.0000 ( 3397 PWs) bands (ev): -20.8067 -20.8067 -19.5961 -19.5961 -18.5159 -18.5159 -17.8457 -17.8457 -17.7297 -17.7297 -5.3017 -5.3017 -4.4805 -4.4805 -4.3142 -4.3142 -2.7154 -2.7154 -2.4496 -2.4496 -1.0267 -1.0267 -0.6799 -0.6799 0.4715 0.4715 0.6875 0.6875 0.8894 0.8894 0.9919 0.9919 1.2489 1.2489 1.3718 1.3718 1.4129 1.4129 1.4980 1.4980 9.4253 9.4253 11.2177 11.2177 11.9230 11.9230 13.8921 13.8921 k = 0.0738 0.0738-0.0000 ( 3397 PWs) bands (ev): -20.8094 -20.8094 -19.6033 -19.6033 -18.5107 -18.5107 -17.8465 -17.8465 -17.7271 -17.7271 -5.2978 -5.2978 -4.4762 -4.4762 -4.3059 -4.3059 -2.6896 -2.6896 -2.4718 -2.4718 -1.0315 -1.0315 -0.6995 -0.6995 0.5039 0.5039 0.7181 0.7181 0.8840 0.8840 1.0045 1.0045 1.2243 1.2243 1.3621 1.3621 1.4248 1.4248 1.5029 1.5029 9.3717 9.3717 11.1731 11.1731 11.8968 11.8968 13.8666 13.8666 k = 0.0656 0.0656-0.0000 ( 3401 PWs) bands (ev): -20.8118 -20.8118 -19.6098 -19.6098 -18.5061 -18.5061 -17.8472 -17.8472 -17.7247 -17.7247 -5.2942 -5.2942 -4.4722 -4.4722 -4.2984 -4.2984 -2.6658 -2.6658 -2.4918 -2.4918 -1.0358 -1.0358 -0.7180 -0.7180 0.5353 0.5353 0.7460 0.7460 0.8793 0.8793 1.0162 1.0162 1.2001 1.2001 1.3498 1.3498 1.4385 1.4385 1.5078 1.5078 9.3231 9.3231 11.1331 11.1331 11.8733 11.8733 13.8431 13.8431 k = 0.0574 0.0574-0.0000 ( 3397 PWs) bands (ev): -20.8140 -20.8140 -19.6155 -19.6155 -18.5020 -18.5020 -17.8478 -17.8478 -17.7226 -17.7226 -5.2911 -5.2911 -4.4686 -4.4686 -4.2917 -4.2917 -2.6441 -2.6441 -2.5096 -2.5096 -1.0396 -1.0396 -0.7352 -0.7352 0.5653 0.5653 0.7708 0.7708 0.8754 0.8754 1.0269 1.0269 1.1765 1.1765 1.3376 1.3376 1.4514 1.4514 1.5127 1.5127 9.2795 9.2795 11.0976 11.0976 11.8526 11.8526 13.8219 13.8219 k = 0.0492 0.0492-0.0000 ( 3393 PWs) bands (ev): -20.8159 -20.8159 -19.6205 -19.6205 -18.4983 -18.4983 -17.8483 -17.8483 -17.7207 -17.7207 -5.2884 -5.2884 -4.4655 -4.4655 -4.2860 -4.2860 -2.6248 -2.6248 -2.5250 -2.5250 -1.0429 -1.0429 -0.7508 -0.7508 0.5938 0.5938 0.7923 0.7923 0.8722 0.8722 1.0363 1.0363 1.1540 1.1540 1.3261 1.3261 1.4627 1.4627 1.5176 1.5176 9.2414 9.2414 11.0668 11.0668 11.8347 11.8347 13.8032 13.8032 k = 0.0410 0.0410-0.0000 ( 3377 PWs) bands (ev): -20.8175 -20.8175 -19.6247 -19.6247 -18.4952 -18.4952 -17.8487 -17.8487 -17.7192 -17.7192 -5.2861 -5.2861 -4.4628 -4.4628 -4.2811 -4.2811 -2.6080 -2.6080 -2.5381 -2.5381 -1.0457 -1.0457 -0.7646 -0.7646 0.6200 0.6200 0.8102 0.8102 0.8701 0.8701 1.0441 1.0441 1.1333 1.1333 1.3159 1.3159 1.4720 1.4720 1.5225 1.5225 9.2088 9.2088 11.0406 11.0406 11.8195 11.8195 13.7873 13.7873 k = 0.0328 0.0328-0.0000 ( 3373 PWs) bands (ev): -20.8188 -20.8188 -19.6281 -19.6281 -18.4927 -18.4927 -17.8491 -17.8491 -17.7179 -17.7179 -5.2842 -5.2842 -4.4606 -4.4606 -4.2771 -4.2771 -2.5940 -2.5940 -2.5489 -2.5489 -1.0479 -1.0479 -0.7762 -0.7762 0.6434 0.6434 0.8241 0.8241 0.8693 0.8693 1.0500 1.0500 1.1153 1.1153 1.3070 1.3070 1.4793 1.4793 1.5272 1.5272 9.1819 9.1819 11.0191 11.0191 11.8071 11.8071 13.7740 13.7740 k = 0.0246 0.0246-0.0000 ( 3377 PWs) bands (ev): -20.8199 -20.8199 -19.6308 -19.6308 -18.4907 -18.4907 -17.8494 -17.8494 -17.7169 -17.7169 -5.2828 -5.2828 -4.4589 -4.4589 -4.2740 -4.2740 -2.5829 -2.5829 -2.5573 -2.5573 -1.0497 -1.0497 -0.7854 -0.7854 0.6632 0.6632 0.8339 0.8339 0.8698 0.8698 1.0531 1.0531 1.1013 1.1013 1.2998 1.2998 1.4846 1.4846 1.5313 1.5313 9.1608 9.1608 11.0024 11.0024 11.7974 11.7974 13.7637 13.7637 k = 0.0164 0.0164-0.0000 ( 3371 PWs) bands (ev): -20.8206 -20.8206 -19.6327 -19.6327 -18.4893 -18.4893 -17.8496 -17.8496 -17.7162 -17.7162 -5.2817 -5.2817 -4.4577 -4.4577 -4.2718 -4.2718 -2.5750 -2.5750 -2.5631 -2.5631 -1.0510 -1.0510 -0.7922 -0.7922 0.6784 0.6784 0.8396 0.8396 0.8715 0.8715 1.0532 1.0532 1.0927 1.0927 1.2944 1.2944 1.4882 1.4882 1.5346 1.5346 9.1457 9.1457 10.9904 10.9904 11.7905 11.7905 13.7562 13.7562 k = 0.0082 0.0082-0.0000 ( 3367 PWs) bands (ev): -20.8211 -20.8211 -19.6339 -19.6339 -18.4885 -18.4885 -17.8497 -17.8497 -17.7157 -17.7157 -5.2811 -5.2811 -4.4569 -4.4569 -4.2704 -4.2704 -2.5707 -2.5707 -2.5662 -2.5662 -1.0517 -1.0517 -0.7963 -0.7963 0.6881 0.6881 0.8423 0.8423 0.8733 0.8733 1.0514 1.0514 1.0888 1.0888 1.2912 1.2912 1.4903 1.4903 1.5366 1.5366 9.1365 9.1365 10.9832 10.9832 11.7864 11.7864 13.7518 13.7518 k = 0.0000 0.0000 0.0000 ( 3371 PWs) bands (ev): -20.8212 -20.8212 -19.6343 -19.6343 -18.4882 -18.4882 -17.8498 -17.8498 -17.7156 -17.7156 -5.2809 -5.2809 -4.4567 -4.4567 -4.2700 -4.2700 -2.5700 -2.5700 -2.5665 -2.5665 -1.0520 -1.0520 -0.7977 -0.7977 0.6914 0.6914 0.8431 0.8431 0.8740 0.8740 1.0503 1.0503 1.0879 1.0879 1.2901 1.2901 1.4909 1.4909 1.5374 1.5374 9.1335 9.1335 10.9808 10.9808 11.7850 11.7850 13.7503 13.7503 k = 0.0000 0.0000 0.0000 ( 3371 PWs) bands (ev): -20.8212 -20.8212 -19.6343 -19.6343 -18.4882 -18.4882 -17.8498 -17.8498 -17.7156 -17.7156 -5.2809 -5.2809 -4.4567 -4.4567 -4.2700 -4.2700 -2.5700 -2.5700 -2.5665 -2.5665 -1.0520 -1.0520 -0.7977 -0.7977 0.6914 0.6914 0.8431 0.8431 0.8740 0.8740 1.0503 1.0503 1.0879 1.0879 1.2901 1.2901 1.4909 1.4909 1.5374 1.5374 9.1335 9.1335 10.9808 10.9808 11.7850 11.7850 13.7503 13.7503 k = 0.0000 0.0000 0.0116 ( 3371 PWs) bands (ev): -20.8212 -20.8212 -19.6343 -19.6343 -18.4882 -18.4882 -17.8499 -17.8499 -17.7154 -17.7154 -5.2808 -5.2808 -4.4567 -4.4567 -4.2699 -4.2699 -2.5701 -2.5701 -2.5666 -2.5666 -1.0557 -1.0557 -0.7929 -0.7929 0.6914 0.6914 0.8431 0.8431 0.8740 0.8740 1.0505 1.0505 1.0881 1.0881 1.2884 1.2884 1.4907 1.4907 1.5372 1.5372 9.1365 9.1365 10.9812 10.9812 11.7848 11.7848 13.7339 13.7339 k = 0.0000 0.0000 0.0232 ( 3375 PWs) bands (ev): -20.8211 -20.8211 -19.6345 -19.6345 -18.4882 -18.4882 -17.8503 -17.8503 -17.7149 -17.7149 -5.2808 -5.2808 -4.4565 -4.4565 -4.2698 -4.2698 -2.5704 -2.5704 -2.5668 -2.5668 -1.0660 -1.0660 -0.7795 -0.7795 0.6914 0.6914 0.8431 0.8431 0.8740 0.8740 1.0511 1.0511 1.0889 1.0889 1.2835 1.2835 1.4902 1.4902 1.5367 1.5367 9.1454 9.1454 10.9822 10.9822 11.7843 11.7843 13.6899 13.6899 k = 0.0000 0.0000 0.0348 ( 3375 PWs) bands (ev): -20.8209 -20.8209 -19.6348 -19.6348 -18.4882 -18.4882 -17.8510 -17.8510 -17.7141 -17.7141 -5.2806 -5.2806 -4.4563 -4.4563 -4.2696 -4.2696 -2.5710 -2.5710 -2.5672 -2.5672 -1.0813 -1.0813 -0.7590 -0.7590 0.6913 0.6913 0.8431 0.8431 0.8740 0.8740 1.0520 1.0520 1.0901 1.0901 1.2755 1.2755 1.4894 1.4894 1.5359 1.5359 9.1603 9.1603 10.9839 10.9839 11.7834 11.7834 13.6279 13.6279 k = 0.0000 0.0000 0.0464 ( 3375 PWs) bands (ev): -20.8207 -20.8207 -19.6353 -19.6353 -18.4882 -18.4882 -17.8518 -17.8518 -17.7131 -17.7131 -5.2804 -5.2804 -4.4560 -4.4560 -4.2693 -4.2693 -2.5717 -2.5717 -2.5678 -2.5678 -1.0997 -1.0997 -0.7333 -0.7333 0.6912 0.6912 0.8430 0.8430 0.8740 0.8740 1.0532 1.0532 1.0918 1.0918 1.2642 1.2642 1.4882 1.4882 1.5347 1.5347 9.1809 9.1809 10.9862 10.9862 11.7816 11.7816 13.5554 13.5554 k = 0.0000 0.0000 0.0580 ( 3375 PWs) bands (ev): -20.8204 -20.8204 -19.6358 -19.6358 -18.4882 -18.4882 -17.8529 -17.8529 -17.7117 -17.7117 -5.2802 -5.2802 -4.4556 -4.4556 -4.2689 -4.2689 -2.5727 -2.5727 -2.5685 -2.5685 -1.1199 -1.1199 -0.7039 -0.7039 0.6911 0.6911 0.8430 0.8430 0.8740 0.8740 1.0548 1.0548 1.0940 1.0940 1.2499 1.2499 1.4868 1.4868 1.5332 1.5332 9.2074 9.2074 10.9891 10.9891 11.7788 11.7788 13.4772 13.4772 k = 0.0000 0.0000 0.0696 ( 3383 PWs) bands (ev): -20.8200 -20.8200 -19.6364 -19.6364 -18.4882 -18.4882 -17.8543 -17.8543 -17.7101 -17.7101 -5.2799 -5.2799 -4.4551 -4.4551 -4.2684 -4.2684 -2.5738 -2.5738 -2.5693 -2.5693 -1.1409 -1.1409 -0.6716 -0.6716 0.6909 0.6909 0.8429 0.8429 0.8740 0.8740 1.0567 1.0567 1.0966 1.0966 1.2325 1.2325 1.4852 1.4852 1.5315 1.5315 9.2395 9.2395 10.9925 10.9925 11.7745 11.7745 13.3961 13.3961 k = 0.0000 0.0000 0.0812 ( 3383 PWs) bands (ev): -20.8196 -20.8196 -19.6371 -19.6371 -18.4882 -18.4882 -17.8557 -17.8557 -17.7084 -17.7084 -5.2796 -5.2796 -4.4546 -4.4546 -4.2679 -4.2679 -2.5750 -2.5750 -2.5702 -2.5702 -1.1621 -1.1621 -0.6370 -0.6370 0.6908 0.6908 0.8428 0.8428 0.8740 0.8740 1.0588 1.0588 1.0995 1.0995 1.2123 1.2123 1.4834 1.4834 1.5294 1.5294 9.2772 9.2772 10.9965 10.9965 11.7680 11.7680 13.3140 13.3140 k = 0.0000 0.0000 0.0928 ( 3395 PWs) bands (ev): -20.8192 -20.8192 -19.6380 -19.6380 -18.4882 -18.4882 -17.8572 -17.8572 -17.7065 -17.7065 -5.2792 -5.2792 -4.4540 -4.4540 -4.2673 -4.2673 -2.5765 -2.5765 -2.5713 -2.5713 -1.1831 -1.1831 -0.6008 -0.6008 0.6906 0.6906 0.8428 0.8428 0.8740 0.8740 1.0612 1.0612 1.1029 1.1029 1.1894 1.1894 1.4814 1.4814 1.5271 1.5271 9.3202 9.3202 11.0010 11.0010 11.7586 11.7586 13.2327 13.2327 k = 0.0000 0.0000 0.1044 ( 3395 PWs) bands (ev): -20.8187 -20.8187 -19.6388 -19.6388 -18.4882 -18.4882 -17.8589 -17.8589 -17.7044 -17.7044 -5.2788 -5.2788 -4.4533 -4.4533 -4.2666 -4.2666 -2.5780 -2.5780 -2.5724 -2.5724 -1.2036 -1.2036 -0.5633 -0.5633 0.6904 0.6904 0.8427 0.8427 0.8740 0.8740 1.0637 1.0637 1.1065 1.1065 1.1641 1.1641 1.4793 1.4793 1.5246 1.5246 9.3684 9.3684 11.0058 11.0058 11.7455 11.7455 13.1534 13.1534 k = 0.0000 0.0000 0.1160 ( 3399 PWs) bands (ev): -20.8182 -20.8182 -19.6397 -19.6397 -18.4882 -18.4882 -17.8606 -17.8606 -17.7023 -17.7023 -5.2784 -5.2784 -4.4526 -4.4526 -4.2659 -4.2659 -2.5796 -2.5796 -2.5736 -2.5736 -1.2233 -1.2233 -0.5246 -0.5246 0.6902 0.6902 0.8425 0.8425 0.8740 0.8740 1.0661 1.0661 1.1104 1.1104 1.1368 1.1368 1.4771 1.4771 1.5219 1.5219 9.4216 9.4216 11.0109 11.0109 11.7278 11.7278 13.0775 13.0775 k = 0.0000 0.0000 0.1276 ( 3403 PWs) bands (ev): -20.8176 -20.8176 -19.6407 -19.6407 -18.4882 -18.4882 -17.8623 -17.8623 -17.7002 -17.7002 -5.2780 -5.2780 -4.4519 -4.4519 -4.2652 -4.2652 -2.5813 -2.5813 -2.5749 -2.5749 -1.2422 -1.2422 -0.4851 -0.4851 0.6900 0.6900 0.8424 0.8424 0.8740 0.8740 1.0678 1.0678 1.1081 1.1081 1.1145 1.1145 1.4748 1.4748 1.5190 1.5190 9.4796 9.4796 11.0162 11.0162 11.7044 11.7044 13.0063 13.0063 k = 0.0000 0.0000 0.1392 ( 3403 PWs) bands (ev): -20.8171 -20.8171 -19.6417 -19.6417 -18.4882 -18.4882 -17.8640 -17.8640 -17.6980 -17.6980 -5.2775 -5.2775 -4.4511 -4.4511 -4.2645 -4.2645 -2.5830 -2.5830 -2.5761 -2.5761 -1.2602 -1.2602 -0.4449 -0.4449 0.6898 0.6898 0.8422 0.8422 0.8740 0.8740 1.0636 1.0636 1.0838 1.0838 1.1188 1.1188 1.4725 1.4725 1.5160 1.5160 9.5422 9.5422 11.0217 11.0217 11.6744 11.6744 12.9408 12.9408 k = 0.0000 0.0000 0.1508 ( 3399 PWs) bands (ev): -20.8165 -20.8165 -19.6427 -19.6427 -18.4882 -18.4882 -17.8657 -17.8657 -17.6959 -17.6959 -5.2771 -5.2771 -4.4504 -4.4504 -4.2637 -4.2637 -2.5848 -2.5848 -2.5774 -2.5774 -1.2771 -1.2771 -0.4044 -0.4044 0.6896 0.6896 0.8420 0.8420 0.8739 0.8739 1.0380 1.0380 1.0795 1.0795 1.1231 1.1231 1.4702 1.4702 1.5129 1.5129 9.6091 9.6091 11.0273 11.0273 11.6370 11.6370 12.8822 12.8822 k = 0.0000 0.0000 0.1624 ( 3395 PWs) bands (ev): -20.8160 -20.8160 -19.6437 -19.6437 -18.4882 -18.4882 -17.8673 -17.8673 -17.6938 -17.6938 -5.2766 -5.2766 -4.4496 -4.4496 -4.2630 -4.2630 -2.5865 -2.5865 -2.5787 -2.5787 -1.2928 -1.2928 -0.3638 -0.3638 0.6894 0.6894 0.8416 0.8416 0.8740 0.8740 1.0051 1.0051 1.0814 1.0814 1.1275 1.1275 1.4679 1.4679 1.5098 1.5098 9.6801 9.6801 11.0328 11.0328 11.5916 11.5916 12.8309 12.8309 k = 0.0000 0.0000 0.1741 ( 3391 PWs) bands (ev): -20.8154 -20.8154 -19.6446 -19.6446 -18.4882 -18.4882 -17.8688 -17.8688 -17.6918 -17.6918 -5.2762 -5.2762 -4.4489 -4.4489 -4.2623 -4.2623 -2.5882 -2.5882 -2.5800 -2.5800 -1.3074 -1.3074 -0.3234 -0.3234 0.6893 0.6893 0.8411 0.8411 0.8740 0.8740 0.9709 0.9709 1.0840 1.0840 1.1318 1.1318 1.4657 1.4657 1.5067 1.5067 9.7549 9.7549 11.0383 11.0383 11.5380 11.5380 12.7874 12.7874 k = 0.0000 0.0000 0.1857 ( 3391 PWs) bands (ev): -20.8149 -20.8149 -19.6455 -19.6455 -18.4882 -18.4882 -17.8703 -17.8703 -17.6899 -17.6899 -5.2758 -5.2758 -4.4482 -4.4482 -4.2616 -4.2616 -2.5898 -2.5898 -2.5811 -2.5811 -1.3208 -1.3208 -0.2835 -0.2835 0.6891 0.6891 0.8402 0.8402 0.8740 0.8740 0.9365 0.9365 1.0868 1.0868 1.1361 1.1361 1.4635 1.4635 1.5036 1.5036 9.8332 9.8332 11.0435 11.0435 11.4764 11.4764 12.7515 12.7515 k = 0.0000 0.0000 0.1973 ( 3399 PWs) bands (ev): -20.8144 -20.8144 -19.6464 -19.6464 -18.4882 -18.4882 -17.8716 -17.8716 -17.6882 -17.6882 -5.2754 -5.2754 -4.4475 -4.4475 -4.2609 -4.2609 -2.5914 -2.5914 -2.5823 -2.5823 -1.3328 -1.3328 -0.2447 -0.2447 0.6889 0.6889 0.8384 0.8384 0.8740 0.8740 0.9031 0.9031 1.0896 1.0896 1.1401 1.1401 1.4615 1.4615 1.5006 1.5006 9.9147 9.9147 11.0485 11.0485 11.4075 11.4075 12.7226 12.7226 k = 0.0000 0.0000 0.2089 ( 3399 PWs) bands (ev): -20.8139 -20.8139 -19.6472 -19.6472 -18.4882 -18.4882 -17.8728 -17.8728 -17.6866 -17.6866 -5.2750 -5.2750 -4.4469 -4.4469 -4.2603 -4.2603 -2.5928 -2.5928 -2.5833 -2.5833 -1.3435 -1.3435 -0.2073 -0.2073 0.6887 0.6887 0.8333 0.8333 0.8738 0.8738 0.8740 0.8740 1.0921 1.0921 1.1439 1.1439 1.4596 1.4596 1.4979 1.4979 9.9989 9.9989 11.0530 11.0530 11.3321 11.3321 12.7001 12.7001 k = 0.0000 0.0000 0.2205 ( 3379 PWs) bands (ev): -20.8135 -20.8135 -19.6479 -19.6479 -18.4882 -18.4882 -17.8739 -17.8739 -17.6852 -17.6852 -5.2747 -5.2747 -4.4463 -4.4463 -4.2598 -4.2598 -2.5940 -2.5940 -2.5842 -2.5842 -1.3529 -1.3529 -0.1720 -0.1720 0.6886 0.6886 0.8183 0.8183 0.8559 0.8559 0.8740 0.8740 1.0945 1.0945 1.1474 1.1474 1.4578 1.4578 1.4953 1.4953 10.0855 10.0855 11.0572 11.0572 11.2515 11.2515 12.6829 12.6829 k = 0.0000 0.0000 0.2321 ( 3387 PWs) bands (ev): -20.8131 -20.8131 -19.6486 -19.6486 -18.4882 -18.4882 -17.8748 -17.8748 -17.6840 -17.6840 -5.2744 -5.2744 -4.4458 -4.4458 -4.2593 -4.2593 -2.5952 -2.5952 -2.5851 -2.5851 -1.3609 -1.3609 -0.1396 -0.1396 0.6885 0.6885 0.7939 0.7939 0.8499 0.8499 0.8741 0.8741 1.0966 1.0966 1.1504 1.1504 1.4563 1.4563 1.4930 1.4930 10.1737 10.1737 11.0608 11.0608 11.1668 11.1668 12.6702 12.6702 k = 0.0000 0.0000 0.2437 ( 3398 PWs) bands (ev): -20.8128 -20.8128 -19.6491 -19.6491 -18.4882 -18.4882 -17.8756 -17.8756 -17.6830 -17.6830 -5.2742 -5.2742 -4.4454 -4.4454 -4.2589 -4.2589 -2.5961 -2.5961 -2.5858 -2.5858 -1.3674 -1.3674 -0.1110 -0.1110 0.6884 0.6884 0.7688 0.7688 0.8478 0.8478 0.8740 0.8740 1.0984 1.0984 1.1530 1.1530 1.4550 1.4550 1.4911 1.4911 10.2627 10.2627 11.0639 11.0639 11.0798 11.0798 12.6611 12.6611 k = 0.0000 0.0000 0.2553 ( 3398 PWs) bands (ev): -20.8126 -20.8126 -19.6496 -19.6496 -18.4882 -18.4882 -17.8762 -17.8762 -17.6822 -17.6822 -5.2740 -5.2740 -4.4451 -4.4451 -4.2586 -4.2586 -2.5968 -2.5968 -2.5863 -2.5863 -1.3725 -1.3725 -0.0872 -0.0872 0.6883 0.6883 0.7469 0.7469 0.8469 0.8469 0.8741 0.8741 1.0998 1.0998 1.1551 1.1551 1.4540 1.4540 1.4895 1.4895 10.3510 10.3510 10.9924 10.9924 11.0663 11.0663 12.6548 12.6548 k = 0.0000 0.0000 0.2669 ( 3398 PWs) bands (ev): -20.8124 -20.8124 -19.6499 -19.6499 -18.4882 -18.4882 -17.8766 -17.8766 -17.6816 -17.6816 -5.2738 -5.2738 -4.4448 -4.4448 -4.2584 -4.2584 -2.5974 -2.5974 -2.5867 -2.5867 -1.3762 -1.3762 -0.0692 -0.0692 0.6883 0.6883 0.7301 0.7301 0.8464 0.8464 0.8741 0.8741 1.1008 1.1008 1.1567 1.1567 1.4532 1.4532 1.4884 1.4884 10.4353 10.4353 10.9085 10.9085 11.0681 11.0681 12.6508 12.6508 k = 0.0000 0.0000 0.2785 ( 3402 PWs) bands (ev): -20.8123 -20.8123 -19.6501 -19.6501 -18.4882 -18.4882 -17.8769 -17.8769 -17.6813 -17.6813 -5.2737 -5.2737 -4.4447 -4.4447 -4.2582 -4.2582 -2.5977 -2.5977 -2.5870 -2.5870 -1.3784 -1.3784 -0.0579 -0.0579 0.6882 0.6882 0.7195 0.7195 0.8462 0.8462 0.8741 0.8741 1.1015 1.1015 1.1576 1.1576 1.4528 1.4528 1.4877 1.4877 10.5062 10.5062 10.8376 10.8376 11.0691 11.0691 12.6485 12.6485 k = 0.0000 0.0000 0.2901 ( 3402 PWs) bands (ev): -20.8123 -20.8123 -19.6501 -19.6501 -18.4882 -18.4882 -17.8770 -17.8770 -17.6812 -17.6812 -5.2737 -5.2737 -4.4446 -4.4446 -4.2582 -4.2582 -2.5978 -2.5978 -2.5870 -2.5870 -1.3791 -1.3791 -0.0541 -0.0541 0.6882 0.6882 0.7158 0.7158 0.8461 0.8461 0.8741 0.8741 1.1017 1.1017 1.1579 1.1579 1.4526 1.4526 1.4874 1.4874 10.5383 10.5383 10.8056 10.8056 11.0695 11.0695 12.6478 12.6478 k = 0.0000 0.0000 0.2901 ( 3402 PWs) bands (ev): -20.8123 -20.8123 -19.6501 -19.6501 -18.4882 -18.4882 -17.8770 -17.8770 -17.6812 -17.6812 -5.2737 -5.2737 -4.4446 -4.4446 -4.2582 -4.2582 -2.5978 -2.5978 -2.5870 -2.5870 -1.3791 -1.3791 -0.0541 -0.0541 0.6882 0.6882 0.7158 0.7158 0.8461 0.8461 0.8741 0.8741 1.1017 1.1017 1.1579 1.1579 1.4526 1.4526 1.4874 1.4874 10.5383 10.5383 10.8056 10.8056 11.0695 11.0695 12.6478 12.6478 k = 0.0000 0.0116 0.2901 ( 3400 PWs) bands (ev): -20.8121 -20.8121 -19.6497 -19.6497 -18.4885 -18.4885 -17.8770 -17.8770 -17.6812 -17.6812 -5.2739 -5.2739 -4.4449 -4.4449 -4.2587 -4.2587 -2.5977 -2.5977 -2.5869 -2.5869 -1.3785 -1.3785 -0.0540 -0.0540 0.6853 0.6853 0.7134 0.7134 0.8454 0.8454 0.8734 0.8734 1.1040 1.1040 1.1602 1.1602 1.4525 1.4525 1.4873 1.4873 10.5406 10.5406 10.8072 10.8072 11.0719 11.0719 12.6483 12.6483 k = 0.0000 0.0233 0.2901 ( 3402 PWs) bands (ev): -20.8117 -20.8117 -19.6485 -19.6485 -18.4893 -18.4893 -17.8771 -17.8771 -17.6815 -17.6815 -5.2746 -5.2746 -4.4458 -4.4458 -4.2602 -4.2602 -2.5975 -2.5975 -2.5865 -2.5865 -1.3768 -1.3768 -0.0539 -0.0539 0.6739 0.6739 0.7094 0.7094 0.8435 0.8435 0.8716 0.8716 1.1095 1.1095 1.1678 1.1678 1.4521 1.4521 1.4869 1.4869 10.5474 10.5474 10.8120 10.8120 11.0790 11.0790 12.6499 12.6499 k = 0.0000 0.0349 0.2901 ( 3394 PWs) bands (ev): -20.8110 -20.8110 -19.6464 -19.6464 -18.4908 -18.4908 -17.8774 -17.8774 -17.6818 -17.6818 -5.2758 -5.2758 -4.4473 -4.4473 -4.2625 -4.2625 -2.5976 -2.5976 -2.5855 -2.5855 -1.3740 -1.3740 -0.0536 -0.0536 0.6521 0.6521 0.7077 0.7077 0.8404 0.8404 0.8686 0.8686 1.1147 1.1147 1.1824 1.1824 1.4515 1.4515 1.4864 1.4864 10.5587 10.5587 10.8201 10.8201 11.0909 11.0909 12.6526 12.6526 k = 0.0000 0.0465 0.2901 ( 3394 PWs) bands (ev): -20.8101 -20.8101 -19.6434 -19.6434 -18.4928 -18.4928 -17.8777 -17.8777 -17.6823 -17.6823 -5.2774 -5.2774 -4.4495 -4.4495 -4.2658 -4.2658 -2.5982 -2.5982 -2.5835 -2.5835 -1.3700 -1.3700 -0.0533 -0.0533 0.6221 0.6221 0.7080 0.7080 0.8360 0.8360 0.8645 0.8645 1.1176 1.1176 1.2038 1.2038 1.4505 1.4505 1.4857 1.4857 10.5741 10.5741 10.8313 10.8313 11.1079 11.1079 12.6565 12.6565 k = 0.0000 0.0581 0.2901 ( 3394 PWs) bands (ev): -20.8088 -20.8088 -19.6397 -19.6397 -18.4954 -18.4954 -17.8782 -17.8782 -17.6829 -17.6829 -5.2795 -5.2795 -4.4525 -4.4525 -4.2696 -4.2696 -2.5994 -2.5994 -2.5805 -2.5805 -1.3649 -1.3649 -0.0529 -0.0529 0.5865 0.5865 0.7094 0.7094 0.8305 0.8305 0.8594 0.8594 1.1185 1.1185 1.2301 1.2301 1.4490 1.4490 1.4849 1.4849 10.5934 10.5934 10.8456 10.8456 11.1300 11.1300 12.6614 12.6614 k = 0.0000 0.0698 0.2901 ( 3394 PWs) bands (ev): -20.8073 -20.8073 -19.6352 -19.6352 -18.4985 -18.4985 -17.8787 -17.8787 -17.6837 -17.6837 -5.2821 -5.2821 -4.4563 -4.4563 -4.2740 -4.2740 -2.6013 -2.6013 -2.5765 -2.5765 -1.3588 -1.3588 -0.0524 -0.0524 0.5470 0.5470 0.7115 0.7115 0.8237 0.8237 0.8534 0.8534 1.1179 1.1179 1.2593 1.2593 1.4471 1.4471 1.4842 1.4842 10.6162 10.6162 10.8629 10.8629 11.1575 11.1575 12.6676 12.6676 k = 0.0000 0.0814 0.2901 ( 3386 PWs) bands (ev): -20.8056 -20.8056 -19.6298 -19.6298 -18.5022 -18.5022 -17.8793 -17.8793 -17.6846 -17.6846 -5.2852 -5.2852 -4.4611 -4.4611 -4.2786 -4.2786 -2.6037 -2.6037 -2.5715 -2.5715 -1.3516 -1.3516 -0.0518 -0.0518 0.5048 0.5048 0.7142 0.7142 0.8157 0.8157 0.8465 0.8465 1.1164 1.1164 1.2901 1.2901 1.4447 1.4447 1.4836 1.4836 10.6420 10.6420 10.8831 10.8831 11.1907 11.1907 12.6750 12.6750 k = 0.0000 0.0930 0.2901 ( 3386 PWs) bands (ev): -20.8036 -20.8036 -19.6237 -19.6237 -18.5066 -18.5066 -17.8800 -17.8800 -17.6856 -17.6856 -5.2887 -5.2887 -4.4669 -4.4669 -4.2834 -4.2834 -2.6066 -2.6066 -2.5657 -2.5657 -1.3435 -1.3435 -0.0512 -0.0512 0.4607 0.4607 0.7174 0.7174 0.8064 0.8064 0.8389 0.8389 1.1141 1.1141 1.3215 1.3215 1.4416 1.4416 1.4831 1.4831 10.6703 10.6703 10.9061 10.9061 11.2299 11.2299 12.6838 12.6838 k = 0.0000 0.1047 0.2901 ( 3388 PWs) bands (ev): -20.8014 -20.8014 -19.6167 -19.6167 -18.5115 -18.5115 -17.8808 -17.8808 -17.6867 -17.6867 -5.2928 -5.2928 -4.4739 -4.4739 -4.2879 -4.2879 -2.6101 -2.6101 -2.5591 -2.5591 -1.3345 -1.3345 -0.0505 -0.0505 0.4153 0.4153 0.7210 0.7210 0.7959 0.7959 0.8307 0.8307 1.1113 1.1113 1.3528 1.3528 1.4379 1.4379 1.4830 1.4830 10.7007 10.7007 10.9317 10.9317 11.2751 11.2751 12.6940 12.6940 k = 0.0000 0.1163 0.2901 ( 3384 PWs) bands (ev): -20.7989 -20.7989 -19.6090 -19.6090 -18.5169 -18.5169 -17.8817 -17.8817 -17.6879 -17.6879 -5.2974 -5.2974 -4.4821 -4.4821 -4.2922 -4.2922 -2.6139 -2.6139 -2.5517 -2.5517 -1.3246 -1.3246 -0.0497 -0.0497 0.3690 0.3690 0.7249 0.7249 0.7842 0.7842 0.8220 0.8220 1.1080 1.1080 1.3836 1.3836 1.4336 1.4336 1.4830 1.4830 10.7327 10.7327 10.9597 10.9597 11.3266 11.3266 12.7058 12.7058 k = 0.0000 0.1279 0.2901 ( 3388 PWs) bands (ev): -20.7962 -20.7962 -19.6005 -19.6005 -18.5230 -18.5230 -17.8826 -17.8826 -17.6893 -17.6893 -5.3025 -5.3025 -4.4915 -4.4915 -4.2960 -4.2960 -2.6182 -2.6182 -2.5436 -2.5436 -1.3140 -1.3140 -0.0489 -0.0489 0.3221 0.3221 0.7289 0.7289 0.7714 0.7714 0.8129 0.8129 1.1042 1.1042 1.4133 1.4133 1.4291 1.4291 1.4834 1.4834 10.7659 10.7659 10.9901 10.9901 11.3843 11.3843 12.7192 12.7192 k = 0.0000 0.1395 0.2901 ( 3388 PWs) bands (ev): -20.7934 -20.7934 -19.5913 -19.5913 -18.5297 -18.5297 -17.8837 -17.8837 -17.6907 -17.6907 -5.3082 -5.3082 -4.5020 -4.5020 -4.2991 -4.2991 -2.6228 -2.6228 -2.5348 -2.5348 -1.3026 -1.3026 -0.0480 -0.0480 0.2749 0.2749 0.7326 0.7326 0.7580 0.7580 0.8035 0.8035 1.1001 1.1001 1.4224 1.4224 1.4435 1.4435 1.4841 1.4841 10.8000 10.8000 11.0225 11.0225 11.4482 11.4482 12.7346 12.7346 k = 0.0000 0.1512 0.2901 ( 3384 PWs) bands (ev): -20.7903 -20.7903 -19.5813 -19.5813 -18.5369 -18.5369 -17.8847 -17.8847 -17.6921 -17.6921 -5.3144 -5.3144 -4.5137 -4.5137 -4.3016 -4.3016 -2.6279 -2.6279 -2.5254 -2.5254 -1.2906 -1.2906 -0.0472 -0.0472 0.2276 0.2276 0.7331 0.7331 0.7469 0.7469 0.7940 0.7940 1.0957 1.0957 1.4166 1.4166 1.4706 1.4706 1.4855 1.4855 10.8346 10.8346 11.0568 11.0568 11.5179 11.5179 12.7521 12.7521 k = 0.0000 0.1628 0.2901 ( 3382 PWs) bands (ev): -20.7871 -20.7871 -19.5706 -19.5706 -18.5448 -18.5448 -17.8859 -17.8859 -17.6937 -17.6937 -5.3212 -5.3212 -4.5263 -4.5263 -4.3034 -4.3034 -2.6333 -2.6333 -2.5153 -2.5153 -1.2779 -1.2779 -0.0463 -0.0463 0.1804 0.1804 0.7220 0.7220 0.7461 0.7461 0.7847 0.7847 1.0910 1.0910 1.4101 1.4101 1.4844 1.4844 1.4994 1.4994 10.8697 10.8697 11.0927 11.0927 11.5930 11.5930 12.7720 12.7720 k = 0.0000 0.1744 0.2901 ( 3370 PWs) bands (ev): -20.7837 -20.7837 -19.5592 -19.5592 -18.5532 -18.5532 -17.8871 -17.8871 -17.6952 -17.6952 -5.3285 -5.3285 -4.5398 -4.5398 -4.3046 -4.3046 -2.6390 -2.6390 -2.5047 -2.5047 -1.2647 -1.2647 -0.0455 -0.0455 0.1335 0.1335 0.7056 0.7056 0.7488 0.7488 0.7764 0.7764 1.0861 1.0861 1.4031 1.4031 1.4862 1.4862 1.5243 1.5243 10.9051 10.9051 11.1299 11.1299 11.6730 11.6730 12.7948 12.7948 k = 0.0000 0.1860 0.2901 ( 3372 PWs) bands (ev): -20.7802 -20.7802 -19.5471 -19.5471 -18.5622 -18.5622 -17.8884 -17.8884 -17.6969 -17.6969 -5.3363 -5.3363 -4.5538 -4.5538 -4.3051 -4.3051 -2.6450 -2.6450 -2.4935 -2.4935 -1.2510 -1.2510 -0.0448 -0.0448 0.0870 0.0870 0.6877 0.6877 0.7490 0.7490 0.7714 0.7714 1.0809 1.0809 1.3958 1.3958 1.4876 1.4876 1.5483 1.5483 10.9406 10.9406 11.1682 11.1682 11.7569 11.7569 12.8208 12.8208 k = 0.0000 0.1977 0.2901 ( 3378 PWs) bands (ev): -20.7766 -20.7766 -19.5344 -19.5344 -18.5718 -18.5718 -17.8897 -17.8897 -17.6985 -17.6985 -5.3447 -5.3447 -4.5683 -4.5683 -4.3050 -4.3050 -2.6514 -2.6514 -2.4819 -2.4819 -1.2369 -1.2369 -0.0443 -0.0443 0.0412 0.0412 0.6689 0.6689 0.7440 0.7440 0.7720 0.7720 1.0755 1.0755 1.3881 1.3881 1.4890 1.4890 1.5709 1.5709 10.9762 10.9762 11.2073 11.2073 11.8438 11.8438 12.8507 12.8507 k = 0.0000 0.2093 0.2901 ( 3382 PWs) bands (ev): -20.7728 -20.7728 -19.5210 -19.5210 -18.5820 -18.5820 -17.8911 -17.8911 -17.7002 -17.7002 -5.3536 -5.3536 -4.5831 -4.5831 -4.3044 -4.3044 -2.6580 -2.6580 -2.4699 -2.4699 -1.2224 -1.2224 -0.0446 -0.0446 -0.0032 -0.0032 0.6493 0.6493 0.7357 0.7357 0.7762 0.7762 1.0699 1.0699 1.3801 1.3801 1.4904 1.4904 1.5921 1.5921 11.0119 11.0119 11.2468 11.2468 11.9326 11.9326 12.8851 12.8851 k = 0.0000 0.2209 0.2901 ( 3378 PWs) bands (ev): -20.7690 -20.7690 -19.5070 -19.5070 -18.5928 -18.5928 -17.8925 -17.8925 -17.7019 -17.7019 -5.3630 -5.3630 -4.5979 -4.5979 -4.3034 -4.3034 -2.6649 -2.6649 -2.4574 -2.4574 -1.2076 -1.2076 -0.0564 -0.0564 -0.0356 -0.0356 0.6292 0.6292 0.7263 0.7263 0.7818 0.7818 1.0643 1.0643 1.3718 1.3718 1.4920 1.4920 1.6118 1.6118 11.0475 11.0475 11.2863 11.2863 12.0218 12.0218 12.9251 12.9251 k = 0.0000 0.2326 0.2901 ( 3380 PWs) bands (ev): -20.7651 -20.7651 -19.4924 -19.4924 -18.6041 -18.6041 -17.8939 -17.8939 -17.7036 -17.7036 -5.3729 -5.3729 -4.6126 -4.6126 -4.3020 -4.3020 -2.6719 -2.6719 -2.4447 -2.4447 -1.1925 -1.1925 -0.0961 -0.0961 -0.0393 -0.0393 0.6085 0.6085 0.7166 0.7166 0.7880 0.7880 1.0585 1.0585 1.3634 1.3634 1.4935 1.4935 1.6301 1.6301 11.0830 11.0830 11.3256 11.3256 12.1099 12.1099 12.9715 12.9715 k = 0.0000 0.2442 0.2901 ( 3380 PWs) bands (ev): -20.7612 -20.7612 -19.4773 -19.4773 -18.6160 -18.6160 -17.8954 -17.8954 -17.7053 -17.7053 -5.3832 -5.3832 -4.6271 -4.6271 -4.3002 -4.3002 -2.6792 -2.6792 -2.4316 -2.4316 -1.1772 -1.1772 -0.1386 -0.1386 -0.0393 -0.0393 0.5875 0.5875 0.7070 0.7070 0.7946 0.7946 1.0526 1.0526 1.3548 1.3548 1.4952 1.4952 1.6470 1.6470 11.1184 11.1184 11.3641 11.3641 12.1954 12.1954 13.0255 13.0255 k = 0.0000 0.2558 0.2901 ( 3380 PWs) bands (ev): -20.7573 -20.7573 -19.4616 -19.4616 -18.6284 -18.6284 -17.8968 -17.8968 -17.7069 -17.7069 -5.3939 -5.3939 -4.6413 -4.6413 -4.2981 -4.2981 -2.6865 -2.6865 -2.4184 -2.4184 -1.1616 -1.1616 -0.1807 -0.1807 -0.0391 -0.0391 0.5663 0.5663 0.6976 0.6976 0.8013 0.8013 1.0467 1.0467 1.3461 1.3461 1.4968 1.4968 1.6625 1.6625 11.1535 11.1535 11.4016 11.4016 12.2764 12.2764 13.0880 13.0880 k = 0.0000 0.2674 0.2901 ( 3384 PWs) bands (ev): -20.7534 -20.7534 -19.4455 -19.4455 -18.6414 -18.6414 -17.8983 -17.8983 -17.7086 -17.7086 -5.4049 -5.4049 -4.6549 -4.6549 -4.2958 -4.2958 -2.6940 -2.6940 -2.4050 -2.4050 -1.1460 -1.1460 -0.2219 -0.2219 -0.0388 -0.0388 0.5449 0.5449 0.6885 0.6885 0.8081 0.8081 1.0408 1.0408 1.3373 1.3373 1.4985 1.4985 1.6766 1.6766 11.1882 11.1882 11.4376 11.4376 12.3519 12.3519 13.1596 13.1596 k = 0.0000 0.2791 0.2901 ( 3394 PWs) bands (ev): -20.7495 -20.7495 -19.4289 -19.4289 -18.6549 -18.6549 -17.8998 -17.8998 -17.7102 -17.7102 -5.4162 -5.4162 -4.6680 -4.6680 -4.2933 -4.2933 -2.7016 -2.7016 -2.3916 -2.3916 -1.1302 -1.1302 -0.2620 -0.2620 -0.0386 -0.0386 0.5235 0.5235 0.6798 0.6798 0.8150 0.8150 1.0349 1.0349 1.3285 1.3285 1.5002 1.5002 1.6894 1.6894 11.2224 11.2224 11.4718 11.4718 12.4209 12.4209 13.2402 13.2402 k = 0.0000 0.2907 0.2901 ( 3398 PWs) bands (ev): -20.7456 -20.7456 -19.4118 -19.4118 -18.6688 -18.6688 -17.9012 -17.9012 -17.7117 -17.7117 -5.4276 -5.4276 -4.6805 -4.6805 -4.2907 -4.2907 -2.7091 -2.7091 -2.3781 -2.3781 -1.1144 -1.1144 -0.3012 -0.3012 -0.0384 -0.0384 0.5023 0.5023 0.6716 0.6716 0.8218 0.8218 1.0291 1.0291 1.3197 1.3197 1.5019 1.5019 1.7009 1.7009 11.2560 11.2560 11.5038 11.5038 12.4832 12.4832 13.3293 13.3293 k = 0.0000 0.3023 0.2901 ( 3398 PWs) bands (ev): -20.7418 -20.7418 -19.3943 -19.3943 -18.6833 -18.6833 -17.9027 -17.9027 -17.7132 -17.7132 -5.4392 -5.4392 -4.6923 -4.6923 -4.2879 -4.2879 -2.7167 -2.7167 -2.3647 -2.3647 -1.0984 -1.0984 -0.3392 -0.3392 -0.0384 -0.0384 0.4812 0.4812 0.6639 0.6639 0.8286 0.8286 1.0233 1.0233 1.3109 1.3109 1.5035 1.5035 1.7112 1.7112 11.2888 11.2888 11.5333 11.5333 12.5390 12.5390 13.4256 13.4256 k = 0.0000 0.3140 0.2901 ( 3402 PWs) bands (ev): -20.7381 -20.7381 -19.3766 -19.3766 -18.6982 -18.6982 -17.9041 -17.9041 -17.7147 -17.7147 -5.4507 -5.4507 -4.7033 -4.7033 -4.2851 -4.2851 -2.7241 -2.7241 -2.3515 -2.3515 -1.0824 -1.0824 -0.3760 -0.3760 -0.0385 -0.0385 0.4605 0.4605 0.6567 0.6567 0.8353 0.8353 1.0177 1.0177 1.3023 1.3023 1.5052 1.5052 1.7204 1.7204 11.3206 11.3206 11.5601 11.5601 12.5892 12.5892 13.5269 13.5269 k = 0.0000 0.3256 0.2901 ( 3406 PWs) bands (ev): -20.7345 -20.7345 -19.3585 -19.3585 -18.7135 -18.7135 -17.9055 -17.9055 -17.7161 -17.7161 -5.4622 -5.4622 -4.7137 -4.7137 -4.2823 -4.2823 -2.7314 -2.7314 -2.3385 -2.3385 -1.0664 -1.0664 -0.4117 -0.4117 -0.0387 -0.0387 0.4402 0.4402 0.6501 0.6501 0.8419 0.8419 1.0123 1.0123 1.2938 1.2938 1.5068 1.5068 1.7284 1.7284 11.3514 11.3514 11.5840 11.5840 12.6343 12.6343 13.6295 13.6295 k = 0.0000 0.3372 0.2901 ( 3412 PWs) bands (ev): -20.7310 -20.7310 -19.3402 -19.3402 -18.7291 -18.7291 -17.9068 -17.9068 -17.7174 -17.7174 -5.4735 -5.4735 -4.7232 -4.7232 -4.2795 -4.2795 -2.7386 -2.7386 -2.3258 -2.3258 -1.0504 -1.0504 -0.4462 -0.4462 -0.0390 -0.0390 0.4206 0.4206 0.6441 0.6441 0.8483 0.8483 1.0070 1.0070 1.2856 1.2856 1.5083 1.5083 1.7355 1.7355 11.3810 11.3810 11.6048 11.6048 12.6753 12.6753 13.6978 13.6978 k = 0.0000 0.3488 0.2901 ( 3412 PWs) bands (ev): -20.7276 -20.7276 -19.3216 -19.3216 -18.7451 -18.7451 -17.9081 -17.9081 -17.7186 -17.7186 -5.4846 -5.4846 -4.7320 -4.7320 -4.2767 -4.2767 -2.7455 -2.7455 -2.3136 -2.3136 -1.0343 -1.0343 -0.4794 -0.4794 -0.0394 -0.0394 0.4016 0.4016 0.6387 0.6387 0.8545 0.8545 1.0020 1.0020 1.2776 1.2776 1.5098 1.5098 1.7417 1.7417 11.4093 11.4093 11.6227 11.6227 12.7127 12.7127 13.7013 13.7013 k = 0.0000 0.3605 0.2901 ( 3406 PWs) bands (ev): -20.7245 -20.7245 -19.3030 -19.3030 -18.7614 -18.7614 -17.9093 -17.9093 -17.7198 -17.7198 -5.4953 -5.4953 -4.7400 -4.7400 -4.2740 -4.2740 -2.7522 -2.7522 -2.3017 -2.3017 -1.0182 -1.0182 -0.5115 -0.5115 -0.0399 -0.0399 0.3835 0.3835 0.6339 0.6339 0.8604 0.8604 0.9972 0.9972 1.2699 1.2699 1.5112 1.5112 1.7470 1.7470 11.4360 11.4360 11.6376 11.6376 12.7471 12.7471 13.7031 13.7031 k = 0.0000 0.3721 0.2901 ( 3406 PWs) bands (ev): -20.7215 -20.7215 -19.2843 -19.2843 -18.7778 -18.7778 -17.9105 -17.9105 -17.7209 -17.7209 -5.5055 -5.5055 -4.7473 -4.7473 -4.2714 -4.2714 -2.7585 -2.7585 -2.2905 -2.2905 -1.0020 -1.0020 -0.5423 -0.5423 -0.0405 -0.0405 0.3663 0.3663 0.6296 0.6296 0.8660 0.8660 0.9926 0.9926 1.2625 1.2625 1.5125 1.5125 1.7515 1.7515 11.4611 11.4611 11.6497 11.6497 12.7787 12.7787 13.7089 13.7089 k = 0.0000 0.3837 0.2901 ( 3406 PWs) bands (ev): -20.7187 -20.7187 -19.2656 -19.2656 -18.7944 -18.7944 -17.9116 -17.9116 -17.7219 -17.7219 -5.5152 -5.5152 -4.7538 -4.7538 -4.2689 -4.2689 -2.7645 -2.7645 -2.2799 -2.2799 -0.9858 -0.9858 -0.5719 -0.5719 -0.0411 -0.0411 0.3501 0.3501 0.6259 0.6259 0.8713 0.8713 0.9884 0.9884 1.2556 1.2556 1.5138 1.5138 1.7554 1.7554 11.4844 11.4844 11.6594 11.6594 12.8079 12.8079 13.7186 13.7186 k = 0.0000 0.3953 0.2901 ( 3406 PWs) bands (ev): -20.7161 -20.7161 -19.2472 -19.2472 -18.8110 -18.8110 -17.9126 -17.9126 -17.7228 -17.7228 -5.5242 -5.5242 -4.7596 -4.7596 -4.2666 -4.2666 -2.7700 -2.7700 -2.2700 -2.2700 -0.9695 -0.9695 -0.6003 -0.6003 -0.0417 -0.0417 0.3352 0.3352 0.6227 0.6227 0.8762 0.8762 0.9845 0.9845 1.2491 1.2491 1.5149 1.5149 1.7586 1.7586 11.5059 11.5059 11.6667 11.6667 12.8346 12.8346 13.7316 13.7316 k = 0.0000 0.4070 0.2901 ( 3406 PWs) bands (ev): -20.7137 -20.7137 -19.2290 -19.2290 -18.8275 -18.8275 -17.9135 -17.9135 -17.7236 -17.7236 -5.5325 -5.5325 -4.7648 -4.7648 -4.2644 -4.2644 -2.7751 -2.7751 -2.2609 -2.2609 -0.9530 -0.9530 -0.6276 -0.6276 -0.0424 -0.0424 0.3214 0.3214 0.6199 0.6199 0.8807 0.8807 0.9809 0.9809 1.2432 1.2432 1.5160 1.5160 1.7612 1.7612 11.5253 11.5253 11.6722 11.6722 12.8590 12.8590 13.7471 13.7471 k = 0.0000 0.4186 0.2901 ( 3402 PWs) bands (ev): -20.7116 -20.7116 -19.2113 -19.2113 -18.8436 -18.8436 -17.9143 -17.9143 -17.7243 -17.7243 -5.5400 -5.5400 -4.7692 -4.7692 -4.2625 -4.2625 -2.7797 -2.7797 -2.2527 -2.2527 -0.9364 -0.9364 -0.6537 -0.6537 -0.0430 -0.0430 0.3091 0.3091 0.6177 0.6177 0.8848 0.8848 0.9777 0.9777 1.2378 1.2378 1.5169 1.5169 1.7634 1.7634 11.5427 11.5427 11.6760 11.6760 12.8810 12.8810 13.7641 13.7641 k = 0.0000 0.4302 0.2901 ( 3406 PWs) bands (ev): -20.7098 -20.7098 -19.1943 -19.1943 -18.8592 -18.8592 -17.9150 -17.9150 -17.7249 -17.7249 -5.5467 -5.5467 -4.7730 -4.7730 -4.2607 -4.2607 -2.7838 -2.7838 -2.2454 -2.2454 -0.9197 -0.9197 -0.6788 -0.6788 -0.0436 -0.0436 0.2982 0.2982 0.6158 0.6158 0.8884 0.8884 0.9749 0.9749 1.2330 1.2330 1.5177 1.5177 1.7651 1.7651 11.5579 11.5579 11.6785 11.6785 12.9005 12.9005 13.7817 13.7817 k = 0.0000 0.4419 0.2901 ( 3402 PWs) bands (ev): -20.7082 -20.7082 -19.1784 -19.1784 -18.8740 -18.8740 -17.9156 -17.9156 -17.7255 -17.7255 -5.5524 -5.5524 -4.7762 -4.7762 -4.2592 -4.2592 -2.7873 -2.7873 -2.2392 -2.2392 -0.9027 -0.9027 -0.7029 -0.7029 -0.0442 -0.0442 0.2888 0.2888 0.6143 0.6143 0.8915 0.8915 0.9725 0.9725 1.2289 1.2289 1.5184 1.5184 1.7665 1.7665 11.5709 11.5709 11.6801 11.6801 12.9173 12.9173 13.7988 13.7988 k = 0.0000 0.4535 0.2901 ( 3396 PWs) bands (ev): -20.7069 -20.7069 -19.1640 -19.1640 -18.8874 -18.8874 -17.9162 -17.9162 -17.7259 -17.7259 -5.5572 -5.5572 -4.7788 -4.7788 -4.2580 -4.2580 -2.7902 -2.7902 -2.2339 -2.2339 -0.8854 -0.8854 -0.7259 -0.7259 -0.0446 -0.0446 0.2810 0.2810 0.6131 0.6131 0.8941 0.8941 0.9705 0.9705 1.2255 1.2255 1.5190 1.5190 1.7675 1.7675 11.5817 11.5817 11.6810 11.6810 12.9313 12.9313 13.8145 13.8145 k = 0.0000 0.4651 0.2901 ( 3396 PWs) bands (ev): -20.7058 -20.7058 -19.1516 -19.1516 -18.8991 -18.8991 -17.9166 -17.9166 -17.7262 -17.7262 -5.5609 -5.5609 -4.7808 -4.7808 -4.2570 -4.2570 -2.7925 -2.7925 -2.2299 -2.2299 -0.8678 -0.8678 -0.7479 -0.7479 -0.0450 -0.0450 0.2749 0.2749 0.6122 0.6122 0.8961 0.8961 0.9690 0.9690 1.2228 1.2228 1.5195 1.5195 1.7683 1.7683 11.5900 11.5900 11.6815 11.6815 12.9423 12.9423 13.8278 13.8278 k = 0.0000 0.4767 0.2901 ( 3384 PWs) bands (ev): -20.7051 -20.7051 -19.1420 -19.1420 -18.9082 -18.9082 -17.9168 -17.9168 -17.7265 -17.7265 -5.5636 -5.5636 -4.7822 -4.7822 -4.2563 -4.2563 -2.7941 -2.7941 -2.2269 -2.2269 -0.8500 -0.8500 -0.7689 -0.7689 -0.0453 -0.0453 0.2705 0.2705 0.6116 0.6116 0.8976 0.8976 0.9679 0.9679 1.2209 1.2209 1.5198 1.5198 1.7688 1.7688 11.5961 11.5961 11.6817 11.6817 12.9503 12.9503 13.8380 13.8380 k = 0.0000 0.4884 0.2901 ( 3396 PWs) bands (ev): -20.7047 -20.7047 -19.1358 -19.1358 -18.9141 -18.9141 -17.9170 -17.9170 -17.7266 -17.7266 -5.5653 -5.5653 -4.7831 -4.7831 -4.2559 -4.2559 -2.7951 -2.7951 -2.2251 -2.2251 -0.8324 -0.8324 -0.7885 -0.7885 -0.0455 -0.0455 0.2679 0.2679 0.6113 0.6113 0.8985 0.8985 0.9672 0.9672 1.2197 1.2197 1.5200 1.5200 1.7691 1.7691 11.5997 11.5997 11.6817 11.6817 12.9552 12.9552 13.8444 13.8444 k = 0.0000 0.5000 0.2901 ( 3400 PWs) bands (ev): -20.7045 -20.7045 -19.1337 -19.1337 -18.9162 -18.9162 -17.9171 -17.9171 -17.7267 -17.7267 -5.5658 -5.5658 -4.7833 -4.7833 -4.2557 -4.2557 -2.7954 -2.7954 -2.2245 -2.2245 -0.8206 -0.8206 -0.8008 -0.8008 -0.0456 -0.0456 0.2670 0.2670 0.6111 0.6111 0.8988 0.8988 0.9670 0.9670 1.2193 1.2193 1.5201 1.5201 1.7692 1.7692 11.6009 11.6009 11.6817 11.6817 12.9568 12.9568 13.8465 13.8465 k = 0.0000 0.5000 0.2901 ( 3400 PWs) bands (ev): -20.7045 -20.7045 -19.1337 -19.1337 -18.9162 -18.9162 -17.9171 -17.9171 -17.7267 -17.7267 -5.5658 -5.5658 -4.7833 -4.7833 -4.2557 -4.2557 -2.7954 -2.7954 -2.2245 -2.2245 -0.8206 -0.8206 -0.8008 -0.8008 -0.0456 -0.0456 0.2670 0.2670 0.6111 0.6111 0.8988 0.8988 0.9670 0.9670 1.2193 1.2193 1.5201 1.5201 1.7692 1.7692 11.6009 11.6009 11.6817 11.6817 12.9568 12.9568 13.8465 13.8465 k = 0.0116 0.5000 0.2901 ( 3404 PWs) bands (ev): -20.7044 -20.7044 -19.1334 -19.1334 -18.9161 -18.9161 -17.9170 -17.9170 -17.7269 -17.7269 -5.5659 -5.5659 -4.7833 -4.7833 -4.2569 -4.2569 -2.8023 -2.8023 -2.2175 -2.2175 -0.8202 -0.8202 -0.8012 -0.8012 -0.0533 -0.0533 0.2743 0.2743 0.6113 0.6113 0.8869 0.8869 0.9789 0.9789 1.2193 1.2193 1.5192 1.5192 1.7695 1.7695 11.6049 11.6049 11.6836 11.6836 12.9563 12.9563 13.8468 13.8468 k = 0.0233 0.5000 0.2901 ( 3392 PWs) bands (ev): -20.7041 -20.7041 -19.1325 -19.1325 -18.9160 -18.9160 -17.9169 -17.9169 -17.7274 -17.7274 -5.5661 -5.5661 -4.7830 -4.7830 -4.2604 -4.2604 -2.8219 -2.8219 -2.1976 -2.1976 -0.8188 -0.8188 -0.8021 -0.8021 -0.0743 -0.0743 0.2944 0.2944 0.6117 0.6117 0.8625 0.8625 1.0037 1.0037 1.2192 1.2192 1.5167 1.5167 1.7705 1.7705 11.6171 11.6171 11.6891 11.6891 12.9551 12.9551 13.8475 13.8475 k = 0.0349 0.5000 0.2901 ( 3396 PWs) bands (ev): -20.7037 -20.7037 -19.1311 -19.1311 -18.9159 -18.9159 -17.9167 -17.9167 -17.7283 -17.7283 -5.5665 -5.5665 -4.7827 -4.7827 -4.2661 -4.2661 -2.8519 -2.8519 -2.1669 -2.1669 -0.8167 -0.8167 -0.8036 -0.8036 -0.1050 -0.1050 0.3234 0.3234 0.6123 0.6123 0.8346 0.8346 1.0322 1.0322 1.2191 1.2191 1.5124 1.5124 1.7720 1.7720 11.6373 11.6373 11.6982 11.6982 12.9529 12.9529 13.8485 13.8485 k = 0.0465 0.5000 0.2901 ( 3396 PWs) bands (ev): -20.7030 -20.7030 -19.1292 -19.1292 -18.9156 -18.9156 -17.9163 -17.9163 -17.7296 -17.7296 -5.5671 -5.5671 -4.7821 -4.7821 -4.2740 -4.2740 -2.8898 -2.8898 -2.1281 -2.1281 -0.8140 -0.8140 -0.8053 -0.8053 -0.1418 -0.1418 0.3577 0.3577 0.6133 0.6133 0.8053 0.8053 1.0622 1.0622 1.2191 1.2191 1.5066 1.5066 1.7742 1.7742 11.6655 11.6655 11.7110 11.7110 12.9499 12.9499 13.8499 13.8499 k = 0.0581 0.5000 0.2901 ( 3404 PWs) bands (ev): -20.7022 -20.7022 -19.1267 -19.1267 -18.9153 -18.9153 -17.9159 -17.9159 -17.7312 -17.7312 -5.5678 -5.5678 -4.7815 -4.7815 -4.2841 -4.2841 -2.9331 -2.9331 -2.0837 -2.0837 -0.8122 -0.8122 -0.8058 -0.8058 -0.1822 -0.1822 0.3949 0.3949 0.6144 0.6144 0.7755 0.7755 1.0929 1.0929 1.2192 1.2192 1.4990 1.4990 1.7769 1.7769 11.7017 11.7017 11.7273 11.7273 12.9461 12.9461 13.8515 13.8515 k = 0.0698 0.5000 0.2901 ( 3408 PWs) bands (ev): -20.7012 -20.7012 -19.1237 -19.1237 -18.9150 -18.9150 -17.9154 -17.9154 -17.7331 -17.7331 -5.5687 -5.5687 -4.7808 -4.7808 -4.2961 -4.2961 -2.9802 -2.9802 -2.0352 -2.0352 -0.8139 -0.8139 -0.8025 -0.8025 -0.2250 -0.2250 0.4335 0.4335 0.6158 0.6158 0.7454 0.7454 1.1241 1.1241 1.2194 1.2194 1.4899 1.4899 1.7802 1.7802 11.7455 11.7455 11.7473 11.7473 12.9415 12.9415 13.8531 13.8531 k = 0.0814 0.5000 0.2901 ( 3404 PWs) bands (ev): -20.7000 -20.7000 -19.1202 -19.1202 -18.9146 -18.9146 -17.9148 -17.9148 -17.7354 -17.7354 -5.5697 -5.5697 -4.7801 -4.7801 -4.3100 -4.3100 -3.0298 -3.0298 -1.9840 -1.9840 -0.8173 -0.8173 -0.7971 -0.7971 -0.2691 -0.2691 0.4726 0.4726 0.6174 0.6174 0.7150 0.7150 1.1557 1.1557 1.2199 1.2199 1.4793 1.4793 1.7840 1.7840 11.7702 11.7702 11.7978 11.7978 12.9362 12.9362 13.8544 13.8544 k = 0.0930 0.5000 0.2901 ( 3400 PWs) bands (ev): -20.6987 -20.6987 -19.1161 -19.1161 -18.9141 -18.9141 -17.9141 -17.9141 -17.7381 -17.7381 -5.5710 -5.5710 -4.7793 -4.7793 -4.3255 -4.3255 -3.0810 -3.0810 -1.9309 -1.9309 -0.8212 -0.8212 -0.7908 -0.7908 -0.3140 -0.3140 0.5114 0.5114 0.6191 0.6191 0.6846 0.6846 1.1876 1.1876 1.2208 1.2208 1.4672 1.4672 1.7883 1.7883 11.7968 11.7968 11.8576 11.8576 12.9301 12.9301 13.8552 13.8552 k = 0.1047 0.5000 0.2901 ( 3404 PWs) bands (ev): -20.6972 -20.6972 -19.1116 -19.1116 -18.9136 -18.9136 -17.9134 -17.9134 -17.7411 -17.7411 -5.5725 -5.5725 -4.7786 -4.7786 -4.3425 -4.3425 -3.1331 -3.1331 -1.8767 -1.8767 -0.8255 -0.8255 -0.7838 -0.7838 -0.3592 -0.3592 0.5493 0.5493 0.6202 0.6202 0.6548 0.6548 1.2195 1.2195 1.2224 1.2224 1.4536 1.4536 1.7931 1.7931 11.8265 11.8265 11.9250 11.9250 12.9232 12.9232 13.8551 13.8551 k = 0.1163 0.5000 0.2901 ( 3408 PWs) bands (ev): -20.6956 -20.6956 -19.1066 -19.1066 -18.9130 -18.9130 -17.9126 -17.9126 -17.7444 -17.7444 -5.5742 -5.5742 -4.7781 -4.7781 -4.3607 -4.3607 -3.1856 -3.1856 -1.8217 -1.8217 -0.8300 -0.8300 -0.7761 -0.7761 -0.4046 -0.4046 0.5852 0.5852 0.6142 0.6142 0.6327 0.6327 1.2244 1.2244 1.2518 1.2518 1.4387 1.4387 1.7983 1.7983 11.8592 11.8592 11.9999 11.9999 12.9158 12.9158 13.8532 13.8532 k = 0.1279 0.5000 0.2901 ( 3408 PWs) bands (ev): -20.6938 -20.6938 -19.1011 -19.1011 -18.9124 -18.9124 -17.9117 -17.9117 -17.7480 -17.7480 -5.5761 -5.5761 -4.7777 -4.7777 -4.3799 -4.3799 -3.2383 -3.2383 -1.7664 -1.7664 -0.8345 -0.8345 -0.7678 -0.7678 -0.4498 -0.4498 0.5855 0.5855 0.6204 0.6204 0.6323 0.6323 1.2274 1.2274 1.2841 1.2841 1.4226 1.4226 1.8040 1.8040 11.8950 11.8950 12.0822 12.0822 12.9078 12.9078 13.8466 13.8466 k = 0.1395 0.5000 0.2901 ( 3408 PWs) bands (ev): -20.6919 -20.6919 -19.0952 -19.0952 -18.9118 -18.9118 -17.9107 -17.9107 -17.7519 -17.7519 -5.5784 -5.5784 -4.7777 -4.7777 -4.3999 -4.3999 -3.2908 -3.2908 -1.7111 -1.7111 -0.8390 -0.8390 -0.7591 -0.7591 -0.4946 -0.4946 0.5547 0.5547 0.6309 0.6309 0.6567 0.6567 1.2316 1.2316 1.3163 1.3163 1.4054 1.4054 1.8099 1.8099 11.9335 11.9335 12.1715 12.1715 12.8994 12.8994 13.8138 13.8138 k = 0.1512 0.5000 0.2901 ( 3400 PWs) bands (ev): -20.6898 -20.6898 -19.0889 -19.0889 -18.9111 -18.9111 -17.9097 -17.9097 -17.7561 -17.7561 -5.5808 -5.5808 -4.7781 -4.7781 -4.4203 -4.4203 -3.3428 -3.3428 -1.6560 -1.6560 -0.8433 -0.8433 -0.7500 -0.7500 -0.5390 -0.5390 0.5225 0.5225 0.6343 0.6343 0.6871 0.6871 1.2371 1.2371 1.3482 1.3482 1.3874 1.3874 1.8162 1.8162 11.9746 11.9746 12.2678 12.2678 12.8908 12.8908 13.7450 13.7450 k = 0.1628 0.5000 0.2901 ( 3408 PWs) bands (ev): -20.6877 -20.6877 -19.0821 -19.0821 -18.9103 -18.9103 -17.9086 -17.9086 -17.7606 -17.7606 -5.5836 -5.5836 -4.7791 -4.7791 -4.4408 -4.4408 -3.3943 -3.3943 -1.6012 -1.6012 -0.8474 -0.8474 -0.7406 -0.7406 -0.5828 -0.5828 0.4896 0.4896 0.6378 0.6378 0.7154 0.7154 1.2441 1.2441 1.3652 1.3652 1.3833 1.3833 1.8228 1.8228 12.0182 12.0182 12.3704 12.3704 12.8823 12.8823 13.6704 13.6704 k = 0.1744 0.5000 0.2901 ( 3412 PWs) bands (ev): -20.6854 -20.6854 -19.0750 -19.0750 -18.9095 -18.9095 -17.9075 -17.9075 -17.7653 -17.7653 -5.5867 -5.5867 -4.7809 -4.7809 -4.4610 -4.4610 -3.4450 -3.4450 -1.5470 -1.5470 -0.8510 -0.8510 -0.7310 -0.7310 -0.6258 -0.6258 0.4562 0.4562 0.6414 0.6414 0.7409 0.7409 1.2528 1.2528 1.3464 1.3464 1.4139 1.4139 1.8295 1.8295 12.0641 12.0641 12.4784 12.4784 12.8748 12.8748 13.5952 13.5952 k = 0.1860 0.5000 0.2901 ( 3408 PWs) bands (ev): -20.6831 -20.6831 -19.0676 -19.0676 -18.9087 -18.9087 -17.9063 -17.9063 -17.7703 -17.7703 -5.5900 -5.5900 -4.7837 -4.7837 -4.4806 -4.4806 -3.4948 -3.4948 -1.4935 -1.4935 -0.8542 -0.8542 -0.7212 -0.7212 -0.6679 -0.6679 0.4224 0.4224 0.6452 0.6452 0.7633 0.7633 1.2632 1.2632 1.3257 1.3257 1.4456 1.4456 1.8365 1.8365 12.1121 12.1121 12.5894 12.5894 12.8706 12.8706 13.5205 13.5205 k = 0.1977 0.5000 0.2901 ( 3404 PWs) bands (ev): -20.6807 -20.6807 -19.0599 -19.0599 -18.9079 -18.9079 -17.9051 -17.9051 -17.7755 -17.7755 -5.5937 -5.5937 -4.7876 -4.7876 -4.4992 -4.4992 -3.5436 -3.5436 -1.4407 -1.4407 -0.8568 -0.8568 -0.7145 -0.7145 -0.7059 -0.7059 0.3882 0.3882 0.6492 0.6492 0.7827 0.7827 1.2745 1.2745 1.3052 1.3052 1.4771 1.4771 1.8435 1.8435 12.1620 12.1620 12.6949 12.6949 12.8780 12.8780 13.4467 13.4467 k = 0.2093 0.5000 0.2901 ( 3408 PWs) bands (ev): -20.6782 -20.6782 -19.0519 -19.0519 -18.9070 -18.9070 -17.9038 -17.9038 -17.7810 -17.7810 -5.5978 -5.5978 -4.7930 -4.7930 -4.5165 -4.5165 -3.5913 -3.5913 -1.3889 -1.3889 -0.8587 -0.8587 -0.7503 -0.7503 -0.7004 -0.7004 0.3535 0.3535 0.6534 0.6534 0.7989 0.7989 1.2752 1.2752 1.2965 1.2965 1.5083 1.5083 1.8507 1.8507 12.2135 12.2135 12.7649 12.7649 12.9271 12.9271 13.3740 13.3740 k = 0.2209 0.5000 0.2901 ( 3420 PWs) bands (ev): -20.6757 -20.6757 -19.0437 -19.0437 -18.9062 -18.9062 -17.9026 -17.9026 -17.7866 -17.7866 -5.6022 -5.6022 -4.7999 -4.7999 -4.5320 -4.5320 -3.6377 -3.6377 -1.3382 -1.3382 -0.8600 -0.8600 -0.7893 -0.7893 -0.6905 -0.6905 0.3184 0.3184 0.6577 0.6577 0.8120 0.8120 1.2552 1.2552 1.3099 1.3099 1.5391 1.5391 1.8579 1.8579 12.2664 12.2664 12.7826 12.7826 13.0341 13.0341 13.3028 13.3028 k = 0.2326 0.5000 0.2901 ( 3416 PWs) bands (ev): -20.6731 -20.6731 -19.0352 -19.0352 -18.9053 -18.9053 -17.9013 -17.9013 -17.7924 -17.7924 -5.6069 -5.6069 -4.8085 -4.8085 -4.5455 -4.5455 -3.6829 -3.6829 -1.2885 -1.2885 -0.8610 -0.8610 -0.8266 -0.8266 -0.6806 -0.6806 0.2830 0.2830 0.6622 0.6622 0.8222 0.8222 1.2322 1.2322 1.3275 1.3275 1.5694 1.5694 1.8651 1.8651 12.3205 12.3205 12.7800 12.7800 13.1666 13.1666 13.2337 13.2337 k = 0.2442 0.5000 0.2901 ( 3424 PWs) bands (ev): -20.6706 -20.6706 -19.0266 -19.0266 -18.9044 -18.9044 -17.9000 -17.9000 -17.7983 -17.7983 -5.6120 -5.6120 -4.8188 -4.8188 -4.5570 -4.5570 -3.7267 -3.7267 -1.2401 -1.2401 -0.8699 -0.8699 -0.8539 -0.8539 -0.6707 -0.6707 0.2472 0.2472 0.6669 0.6669 0.8298 0.8298 1.2085 1.2085 1.3467 1.3467 1.5990 1.5990 1.8723 1.8723 12.3756 12.3756 12.7714 12.7714 13.1643 13.1643 13.3127 13.3127 k = 0.2558 0.5000 0.2901 ( 3424 PWs) bands (ev): -20.6680 -20.6680 -19.0179 -19.0179 -18.9035 -18.9035 -17.8987 -17.8987 -17.8043 -17.8043 -5.6175 -5.6175 -4.8306 -4.8306 -4.5663 -4.5663 -3.7690 -3.7690 -1.1931 -1.1931 -0.9022 -0.9022 -0.8555 -0.8555 -0.6609 -0.6609 0.2111 0.2111 0.6716 0.6716 0.8351 0.8351 1.1844 1.1844 1.3671 1.3671 1.6281 1.6281 1.8794 1.8794 12.4313 12.4313 12.7605 12.7605 13.0984 13.0984 13.4647 13.4647 k = 0.2674 0.5000 0.2901 ( 3420 PWs) bands (ev): -20.6654 -20.6654 -19.0091 -19.0091 -18.9026 -18.9026 -17.8974 -17.8974 -17.8104 -17.8104 -5.6232 -5.6232 -4.8439 -4.8439 -4.5735 -4.5735 -3.8098 -3.8098 -1.1476 -1.1476 -0.9359 -0.9359 -0.8531 -0.8531 -0.6513 -0.6513 0.1748 0.1748 0.6764 0.6764 0.8384 0.8384 1.1602 1.1602 1.3883 1.3883 1.6563 1.6563 1.8865 1.8865 12.4874 12.4874 12.7486 12.7486 13.0343 13.0343 13.6219 13.6219 k = 0.2791 0.5000 0.2901 ( 3416 PWs) bands (ev): -20.6628 -20.6628 -19.0003 -19.0003 -18.9017 -18.9017 -17.8961 -17.8961 -17.8166 -17.8166 -5.6293 -5.6293 -4.8581 -4.8581 -4.5790 -4.5790 -3.8489 -3.8489 -1.1040 -1.1040 -0.9683 -0.9683 -0.8491 -0.8491 -0.6420 -0.6420 0.1382 0.1382 0.6813 0.6813 0.8400 0.8400 1.1360 1.1360 1.4099 1.4099 1.6838 1.6838 1.8933 1.8933 12.5437 12.5437 12.7363 12.7363 12.9725 12.9725 13.6083 13.6083 k = 0.2907 0.5000 0.2901 ( 3416 PWs) bands (ev): -20.6603 -20.6603 -18.9915 -18.9915 -18.9009 -18.9009 -17.8948 -17.8948 -17.8228 -17.8228 -5.6356 -5.6356 -4.8731 -4.8731 -4.5828 -4.5828 -3.8865 -3.8865 -1.0636 -1.0636 -0.9975 -0.9975 -0.8438 -0.8438 -0.6329 -0.6329 0.1015 0.1015 0.6863 0.6863 0.8401 0.8401 1.1118 1.1118 1.4316 1.4316 1.7103 1.7103 1.9001 1.9001 12.5996 12.5996 12.7238 12.7238 12.9130 12.9130 13.5768 13.5768 k = 0.3023 0.5000 0.2901 ( 3416 PWs) bands (ev): -20.6578 -20.6578 -18.9827 -18.9827 -18.9000 -18.9000 -17.8936 -17.8936 -17.8289 -17.8289 -5.6421 -5.6421 -4.8885 -4.8885 -4.5853 -4.5853 -3.9223 -3.9223 -1.0437 -1.0437 -1.0067 -1.0067 -0.8373 -0.8373 -0.6241 -0.6241 0.0647 0.0647 0.6914 0.6914 0.8391 0.8391 1.0879 1.0879 1.4532 1.4532 1.7359 1.7359 1.9066 1.9066 12.6547 12.6547 12.7117 12.7117 12.8560 12.8560 13.5452 13.5452 k = 0.3140 0.5000 0.2901 ( 3404 PWs) bands (ev): -20.6553 -20.6553 -18.9741 -18.9741 -18.8991 -18.8991 -17.8923 -17.8923 -17.8351 -17.8351 -5.6489 -5.6489 -4.9040 -4.9040 -4.5866 -4.5866 -3.9563 -3.9563 -1.0648 -1.0648 -0.9749 -0.9749 -0.8293 -0.8293 -0.6156 -0.6156 0.0278 0.0278 0.6964 0.6964 0.8372 0.8372 1.0642 1.0642 1.4744 1.4744 1.7604 1.7604 1.9128 1.9128 12.6938 12.6938 12.7148 12.7148 12.8016 12.8016 13.5140 13.5140 k = 0.3256 0.5000 0.2901 ( 3400 PWs) bands (ev): -20.6530 -20.6530 -18.9656 -18.9656 -18.8983 -18.8983 -17.8911 -17.8911 -17.8411 -17.8411 -5.6558 -5.6558 -4.9192 -4.9192 -4.5872 -4.5872 -3.9885 -3.9885 -1.0908 -1.0908 -0.9386 -0.9386 -0.8201 -0.8201 -0.6075 -0.6075 -0.0091 -0.0091 0.7015 0.7015 0.8346 0.8346 1.0410 1.0410 1.4951 1.4951 1.7839 1.7839 1.9189 1.9189 12.6846 12.6846 12.7488 12.7488 12.7666 12.7666 13.4836 13.4836 k = 0.3372 0.5000 0.2901 ( 3396 PWs) bands (ev): -20.6507 -20.6507 -18.9573 -18.9573 -18.8975 -18.8975 -17.8900 -17.8900 -17.8470 -17.8470 -5.6627 -5.6627 -4.9341 -4.9341 -4.5870 -4.5870 -4.0189 -4.0189 -1.1161 -1.1161 -0.9034 -0.9034 -0.8094 -0.8094 -0.5999 -0.5999 -0.0460 -0.0460 0.7066 0.7066 0.8315 0.8315 1.0183 1.0183 1.5150 1.5150 1.8061 1.8061 1.9246 1.9246 12.6729 12.6729 12.7007 12.7007 12.8180 12.8180 13.4542 13.4542 k = 0.3488 0.5000 0.2901 ( 3388 PWs) bands (ev): -20.6485 -20.6485 -18.9493 -18.9493 -18.8968 -18.8968 -17.8889 -17.8889 -17.8528 -17.8528 -5.6697 -5.6697 -4.9483 -4.9483 -4.5864 -4.5864 -4.0474 -4.0474 -1.1400 -1.1400 -0.8699 -0.8699 -0.7972 -0.7972 -0.5926 -0.5926 -0.0827 -0.0827 0.7117 0.7117 0.8280 0.8280 0.9962 0.9962 1.5340 1.5340 1.8271 1.8271 1.9301 1.9301 12.6548 12.6548 12.6614 12.6614 12.8686 12.8686 13.4260 13.4260 k = 0.3605 0.5000 0.2901 ( 3392 PWs) bands (ev): -20.6464 -20.6464 -18.9416 -18.9416 -18.8961 -18.8961 -17.8879 -17.8879 -17.8583 -17.8583 -5.6766 -5.6766 -4.9617 -4.9617 -4.5854 -4.5854 -4.0739 -4.0739 -1.1624 -1.1624 -0.8385 -0.8385 -0.7836 -0.7836 -0.5858 -0.5858 -0.1193 -0.1193 0.7168 0.7168 0.8242 0.8242 0.9749 0.9749 1.5521 1.5521 1.8468 1.8468 1.9352 1.9352 12.6118 12.6118 12.6503 12.6503 12.9172 12.9172 13.3992 13.3992 k = 0.3721 0.5000 0.2901 ( 3396 PWs) bands (ev): -20.6445 -20.6445 -18.9343 -18.9343 -18.8954 -18.8954 -17.8869 -17.8869 -17.8636 -17.8636 -5.6833 -5.6833 -4.9743 -4.9743 -4.5841 -4.5841 -4.0984 -4.0984 -1.1831 -1.1831 -0.8093 -0.8093 -0.7684 -0.7684 -0.5794 -0.5794 -0.1556 -0.1556 0.7219 0.7219 0.8204 0.8204 0.9543 0.9543 1.5690 1.5690 1.8651 1.8651 1.9400 1.9400 12.5720 12.5720 12.6398 12.6398 12.9635 12.9635 13.3741 13.3741 k = 0.3837 0.5000 0.2901 ( 3400 PWs) bands (ev): -20.6427 -20.6427 -18.9275 -18.9275 -18.8948 -18.8948 -17.8860 -17.8860 -17.8686 -17.8686 -5.6898 -5.6898 -4.9859 -4.9859 -4.5828 -4.5828 -4.1209 -4.1209 -1.2022 -1.2022 -0.7825 -0.7825 -0.7517 -0.7517 -0.5736 -0.5736 -0.1916 -0.1916 0.7271 0.7271 0.8165 0.8165 0.9347 0.9347 1.5846 1.5846 1.8821 1.8821 1.9444 1.9444 12.5354 12.5354 12.6299 12.6299 13.0072 13.0072 13.3507 13.3507 k = 0.3953 0.5000 0.2901 ( 3392 PWs) bands (ev): -20.6410 -20.6410 -18.9211 -18.9211 -18.8942 -18.8942 -17.8851 -17.8851 -17.8733 -17.8733 -5.6961 -5.6961 -4.9965 -4.9965 -4.5813 -4.5813 -4.1414 -4.1414 -1.2196 -1.2196 -0.7582 -0.7582 -0.7334 -0.7334 -0.5681 -0.5681 -0.2272 -0.2272 0.7322 0.7322 0.8127 0.8127 0.9161 0.9161 1.5990 1.5990 1.8975 1.8975 1.9485 1.9485 12.5020 12.5020 12.6208 12.6208 13.0478 13.0478 13.3292 13.3292 k = 0.4070 0.5000 0.2901 ( 3396 PWs) bands (ev): -20.6395 -20.6395 -18.9152 -18.9152 -18.8937 -18.8937 -17.8844 -17.8844 -17.8776 -17.8776 -5.7019 -5.7019 -5.0060 -5.0060 -4.5798 -4.5798 -4.1598 -4.1598 -1.2352 -1.2352 -0.7360 -0.7360 -0.7140 -0.7140 -0.5633 -0.5633 -0.2624 -0.2624 0.7374 0.7374 0.8091 0.8091 0.8985 0.8985 1.6121 1.6121 1.9114 1.9114 1.9522 1.9522 12.4720 12.4720 12.6124 12.6124 13.0851 13.0851 13.3097 13.3097 k = 0.4186 0.5000 0.2901 ( 3392 PWs) bands (ev): -20.6381 -20.6381 -18.9099 -18.9099 -18.8932 -18.8932 -17.8837 -17.8837 -17.8815 -17.8815 -5.7072 -5.7072 -5.0145 -5.0145 -4.5784 -4.5784 -4.1760 -4.1760 -1.2490 -1.2490 -0.7156 -0.7156 -0.6940 -0.6940 -0.5589 -0.5589 -0.2969 -0.2969 0.7426 0.7426 0.8057 0.8057 0.8822 0.8822 1.6237 1.6237 1.9238 1.9238 1.9556 1.9556 12.4453 12.4453 12.6048 12.6048 13.1188 13.1188 13.2923 13.2923 k = 0.4302 0.5000 0.2901 ( 3392 PWs) bands (ev): -20.6369 -20.6369 -18.9052 -18.9052 -18.8928 -18.8928 -17.8850 -17.8850 -17.8831 -17.8831 -5.7120 -5.7120 -5.0218 -5.0218 -4.5771 -4.5771 -4.1902 -4.1902 -1.2610 -1.2610 -0.6970 -0.6970 -0.6734 -0.6734 -0.5551 -0.5551 -0.3309 -0.3309 0.7480 0.7480 0.8025 0.8025 0.8671 0.8671 1.6338 1.6338 1.9345 1.9345 1.9586 1.9586 12.4221 12.4221 12.5982 12.5982 13.1487 13.1487 13.2772 13.2772 k = 0.4419 0.5000 0.2901 ( 3380 PWs) bands (ev): -20.6359 -20.6359 -18.9011 -18.9011 -18.8924 -18.8924 -17.8880 -17.8880 -17.8826 -17.8826 -5.7162 -5.7162 -5.0280 -5.0280 -4.5759 -4.5759 -4.2022 -4.2022 -1.2712 -1.2712 -0.6807 -0.6807 -0.6521 -0.6521 -0.5518 -0.5518 -0.3641 -0.3641 0.7535 0.7535 0.7997 0.7997 0.8533 0.8533 1.6425 1.6425 1.9435 1.9435 1.9612 1.9612 12.4024 12.4024 12.5925 12.5925 13.1743 13.1743 13.2642 13.2642 k = 0.4535 0.5000 0.2901 ( 3376 PWs) bands (ev): -20.6350 -20.6350 -18.8978 -18.8978 -18.8921 -18.8921 -17.8905 -17.8905 -17.8821 -17.8821 -5.7197 -5.7197 -5.0331 -5.0331 -4.5749 -4.5749 -4.2120 -4.2120 -1.2796 -1.2796 -0.6672 -0.6672 -0.6295 -0.6295 -0.5491 -0.5491 -0.3965 -0.3965 0.7591 0.7591 0.7970 0.7970 0.8411 0.8411 1.6496 1.6496 1.9507 1.9507 1.9636 1.9636 12.3863 12.3863 12.5878 12.5878 13.1957 13.1957 13.2536 13.2536 k = 0.4651 0.5000 0.2901 ( 3376 PWs) bands (ev): -20.6343 -20.6343 -18.8952 -18.8952 -18.8918 -18.8918 -17.8924 -17.8924 -17.8818 -17.8818 -5.7225 -5.7225 -5.0370 -5.0370 -4.5741 -4.5741 -4.2197 -4.2197 -1.2861 -1.2861 -0.6567 -0.6567 -0.6059 -0.6059 -0.5469 -0.5469 -0.4278 -0.4278 0.7649 0.7649 0.7944 0.7944 0.8305 0.8305 1.6552 1.6552 1.9560 1.9560 1.9658 1.9658 12.3736 12.3736 12.5841 12.5841 13.2124 13.2124 13.2453 13.2453 k = 0.4767 0.5000 0.2901 ( 3368 PWs) bands (ev): -20.6339 -20.6339 -18.8934 -18.8934 -18.8915 -18.8915 -17.8938 -17.8938 -17.8816 -17.8816 -5.7245 -5.7245 -5.0398 -5.0398 -4.5735 -4.5735 -4.2252 -4.2252 -1.2908 -1.2908 -0.6492 -0.6492 -0.5816 -0.5816 -0.5450 -0.5450 -0.4577 -0.4577 0.7707 0.7707 0.7917 0.7917 0.8220 0.8220 1.6592 1.6592 1.9595 1.9595 1.9677 1.9677 12.3646 12.3646 12.5814 12.5814 13.2244 13.2244 13.2394 13.2394 k = 0.4884 0.5000 0.2901 ( 3356 PWs) bands (ev): -20.6336 -20.6336 -18.8925 -18.8925 -18.8912 -18.8912 -17.8947 -17.8947 -17.8814 -17.8814 -5.7257 -5.7257 -5.0415 -5.0415 -4.5732 -4.5732 -4.2285 -4.2285 -1.2936 -1.2936 -0.6447 -0.6447 -0.5593 -0.5593 -0.5428 -0.5428 -0.4845 -0.4845 0.7762 0.7762 0.7887 0.7887 0.8165 0.8165 1.6616 1.6616 1.9613 1.9613 1.9691 1.9691 12.3592 12.3592 12.5798 12.5798 13.2311 13.2311 13.2364 13.2364 k = 0.5000 0.5000 0.2901 ( 3344 PWs) bands (ev): -20.6335 -20.6335 -18.8923 -18.8923 -18.8910 -18.8910 -17.8950 -17.8950 -17.8814 -17.8814 -5.7261 -5.7261 -5.0420 -5.0420 -4.5731 -4.5731 -4.2295 -4.2295 -1.2945 -1.2945 -0.6432 -0.6432 -0.5500 -0.5500 -0.5380 -0.5380 -0.4993 -0.4993 0.7793 0.7793 0.7865 0.7865 0.8145 0.8145 1.6624 1.6624 1.9619 1.9619 1.9696 1.9696 12.3574 12.3574 12.5793 12.5793 13.2325 13.2325 13.2363 13.2363 k = 0.5000 0.5000 0.2901 ( 3344 PWs) bands (ev): -20.6335 -20.6335 -18.8923 -18.8923 -18.8910 -18.8910 -17.8950 -17.8950 -17.8814 -17.8814 -5.7261 -5.7261 -5.0420 -5.0420 -4.5731 -4.5731 -4.2295 -4.2295 -1.2945 -1.2945 -0.6432 -0.6432 -0.5500 -0.5500 -0.5380 -0.5380 -0.4993 -0.4993 0.7793 0.7793 0.7865 0.7865 0.8145 0.8145 1.6624 1.6624 1.9619 1.9619 1.9696 1.9696 12.3574 12.3574 12.5793 12.5793 13.2325 13.2325 13.2363 13.2363 k = 0.4918 0.4918 0.2901 ( 3366 PWs) bands (ev): -20.6336 -20.6336 -18.8926 -18.8926 -18.8911 -18.8911 -17.8947 -17.8947 -17.8814 -17.8814 -5.7257 -5.7257 -5.0415 -5.0415 -4.5732 -4.5732 -4.2285 -4.2285 -1.2936 -1.2936 -0.6448 -0.6448 -0.5597 -0.5597 -0.5421 -0.5421 -0.4847 -0.4847 0.7762 0.7762 0.7887 0.7887 0.8164 0.8164 1.6616 1.6616 1.9613 1.9613 1.9691 1.9691 12.3592 12.3592 12.5798 12.5798 13.2314 13.2314 13.2361 13.2361 k = 0.4836 0.4836 0.2901 ( 3366 PWs) bands (ev): -20.6339 -20.6339 -18.8944 -18.8944 -18.8905 -18.8905 -17.8938 -17.8938 -17.8816 -17.8816 -5.7245 -5.7245 -5.0398 -5.0398 -4.5735 -4.5735 -4.2252 -4.2252 -1.2908 -1.2908 -0.6492 -0.6492 -0.5835 -0.5835 -0.5420 -0.5420 -0.4588 -0.4588 0.7703 0.7703 0.7924 0.7924 0.8217 0.8217 1.6592 1.6592 1.9596 1.9596 1.9677 1.9677 12.3645 12.3645 12.5815 12.5815 13.2261 13.2261 13.2378 13.2378 k = 0.4754 0.4754 0.2901 ( 3370 PWs) bands (ev): -20.6343 -20.6343 -18.8977 -18.8977 -18.8893 -18.8893 -17.8924 -17.8924 -17.8818 -17.8818 -5.7225 -5.7225 -5.0370 -5.0370 -4.5741 -4.5741 -4.2197 -4.2197 -1.2862 -1.2862 -0.6567 -0.6567 -0.6098 -0.6098 -0.5398 -0.5398 -0.4308 -0.4308 0.7638 0.7638 0.7966 0.7966 0.8294 0.8294 1.6553 1.6553 1.9563 1.9563 1.9656 1.9656 12.3733 12.3733 12.5843 12.5843 13.2163 13.2163 13.2414 13.2414 k = 0.4672 0.4672 0.2901 ( 3376 PWs) bands (ev): -20.6350 -20.6350 -18.9023 -18.9023 -18.8876 -18.8876 -17.8905 -17.8905 -17.8821 -17.8821 -5.7196 -5.7196 -5.0332 -5.0332 -4.5750 -4.5750 -4.2121 -4.2121 -1.2797 -1.2797 -0.6676 -0.6676 -0.6360 -0.6360 -0.5366 -0.5366 -0.4021 -0.4021 0.7568 0.7568 0.8014 0.8014 0.8389 0.8389 1.6498 1.6498 1.9513 1.9513 1.9632 1.9632 12.3853 12.3853 12.5884 12.5884 13.2025 13.2025 13.2468 13.2468 k = 0.4590 0.4590 0.2901 ( 3384 PWs) bands (ev): -20.6359 -20.6359 -18.9081 -18.9081 -18.8854 -18.8854 -17.8880 -17.8880 -17.8826 -17.8826 -5.7160 -5.7160 -5.0282 -5.0282 -4.5760 -4.5760 -4.2023 -4.2023 -1.2713 -1.2713 -0.6822 -0.6822 -0.6610 -0.6610 -0.5323 -0.5323 -0.3732 -0.3732 0.7496 0.7496 0.8071 0.8071 0.8496 0.8496 1.6428 1.6428 1.9446 1.9446 1.9604 1.9604 12.4001 12.4001 12.5941 12.5941 13.1848 13.1848 13.2537 13.2537 k = 0.4508 0.4508 0.2901 ( 3388 PWs) bands (ev): -20.6369 -20.6369 -18.9152 -18.9152 -18.8826 -18.8826 -17.8851 -17.8851 -17.8831 -17.8831 -5.7117 -5.7117 -5.0221 -5.0221 -4.5773 -4.5773 -4.1904 -4.1904 -1.2612 -1.2612 -0.7016 -0.7016 -0.6837 -0.6837 -0.5270 -0.5270 -0.3442 -0.3442 0.7422 0.7422 0.8137 0.8137 0.8616 0.8616 1.6344 1.6344 1.9363 1.9363 1.9573 1.9573 12.4173 12.4173 12.6019 12.6019 13.1634 13.1634 13.2621 13.2621 k = 0.4426 0.4426 0.2901 ( 3392 PWs) bands (ev): -20.6382 -20.6382 -18.9235 -18.9235 -18.8794 -18.8794 -17.8836 -17.8836 -17.8817 -17.8817 -5.7066 -5.7066 -5.0150 -5.0150 -4.5788 -4.5788 -4.1763 -4.1763 -1.2492 -1.2492 -0.7245 -0.7245 -0.7048 -0.7048 -0.5207 -0.5207 -0.3154 -0.3154 0.7346 0.7346 0.8213 0.8213 0.8746 0.8746 1.6247 1.6247 1.9265 1.9265 1.9538 1.9538 12.4360 12.4360 12.6122 12.6122 13.1384 13.1384 13.2720 13.2720 k = 0.4344 0.4344 0.2901 ( 3394 PWs) bands (ev): -20.6396 -20.6396 -18.9329 -18.9329 -18.8757 -18.8757 -17.8843 -17.8843 -17.8778 -17.8778 -5.7007 -5.7007 -5.0069 -5.0069 -4.5804 -4.5804 -4.1602 -4.1602 -1.2354 -1.2354 -0.7489 -0.7489 -0.7266 -0.7266 -0.5134 -0.5134 -0.2869 -0.2869 0.7266 0.7266 0.8298 0.8298 0.8887 0.8887 1.6136 1.6136 1.9153 1.9153 1.9497 1.9497 12.4552 12.4552 12.6260 12.6260 13.1100 13.1100 13.2835 13.2835 k = 0.4262 0.4262 0.2901 ( 3394 PWs) bands (ev): -20.6412 -20.6412 -18.9434 -18.9434 -18.8715 -18.8715 -17.8850 -17.8850 -17.8736 -17.8736 -5.6942 -5.6942 -4.9978 -4.9978 -4.5823 -4.5823 -4.1419 -4.1419 -1.2198 -1.2198 -0.7736 -0.7736 -0.7500 -0.7500 -0.5051 -0.5051 -0.2586 -0.2586 0.7184 0.7184 0.8391 0.8391 0.9038 0.9038 1.6014 1.6014 1.9029 1.9029 1.9452 1.9452 12.4738 12.4738 12.6443 12.6443 13.0783 13.0783 13.2966 13.2966 k = 0.4180 0.4180 0.2901 ( 3400 PWs) bands (ev): -20.6430 -20.6430 -18.9550 -18.9550 -18.8669 -18.8669 -17.8857 -17.8857 -17.8690 -17.8690 -5.6870 -5.6870 -4.9876 -4.9876 -4.5843 -4.5843 -4.1217 -4.1217 -1.2024 -1.2024 -0.7980 -0.7980 -0.7752 -0.7752 -0.4959 -0.4959 -0.2308 -0.2308 0.7099 0.7099 0.8491 0.8491 0.9198 0.9198 1.5880 1.5880 1.8893 1.8893 1.9403 1.9403 12.4905 12.4905 12.6678 12.6678 13.0435 13.0435 13.3111 13.3111 k = 0.4098 0.4098 0.2901 ( 3400 PWs) bands (ev): -20.6450 -20.6450 -18.9674 -18.9674 -18.8618 -18.8618 -17.8865 -17.8865 -17.8641 -17.8641 -5.6792 -5.6792 -4.9766 -4.9766 -4.5863 -4.5863 -4.0994 -4.0994 -1.1833 -1.1833 -0.8224 -0.8224 -0.8021 -0.8021 -0.4856 -0.4856 -0.2035 -0.2035 0.7010 0.7010 0.8599 0.8599 0.9367 0.9367 1.5736 1.5736 1.8747 1.8747 1.9348 1.9348 12.5047 12.5047 12.6972 12.6972 13.0057 13.0057 13.3272 13.3272 k = 0.4016 0.4016 0.2901 ( 3402 PWs) bands (ev): -20.6472 -20.6472 -18.9808 -18.9808 -18.8563 -18.8563 -17.8873 -17.8873 -17.8589 -17.8589 -5.6709 -5.6709 -4.9646 -4.9646 -4.5885 -4.5885 -4.0753 -4.0753 -1.1625 -1.1625 -0.8473 -0.8473 -0.8298 -0.8298 -0.4745 -0.4745 -0.1768 -0.1768 0.6918 0.6918 0.8713 0.8713 0.9545 0.9545 1.5583 1.5583 1.8591 1.8591 1.9288 1.9288 12.5160 12.5160 12.7323 12.7323 12.9651 12.9651 13.3447 13.3447 k = 0.3934 0.3934 0.2901 ( 3398 PWs) bands (ev): -20.6495 -20.6495 -18.9950 -18.9950 -18.8503 -18.8503 -17.8882 -17.8882 -17.8535 -17.8535 -5.6619 -5.6619 -4.9518 -4.9518 -4.5906 -4.5906 -4.0493 -4.0493 -1.1400 -1.1400 -0.8745 -0.8745 -0.8565 -0.8565 -0.4624 -0.4624 -0.1507 -0.1507 0.6822 0.6822 0.8832 0.8832 0.9731 0.9731 1.5423 1.5423 1.8427 1.8427 1.9222 1.9222 12.5246 12.5246 12.7726 12.7726 12.9220 12.9220 13.3638 13.3638 k = 0.3852 0.3852 0.2901 ( 3390 PWs) bands (ev): -20.6520 -20.6520 -19.0100 -19.0100 -18.8440 -18.8440 -17.8891 -17.8891 -17.8479 -17.8479 -5.6525 -5.6525 -4.9381 -4.9381 -4.5928 -4.5928 -4.0216 -4.0216 -1.1160 -1.1160 -0.9055 -0.9055 -0.8804 -0.8804 -0.4493 -0.4493 -0.1254 -0.1254 0.6723 0.6723 0.8955 0.8955 0.9924 0.9924 1.5255 1.5255 1.8257 1.8257 1.9152 1.9152 12.5309 12.5309 12.8172 12.8172 12.8765 12.8765 13.3845 13.3845 k = 0.3770 0.3770 0.2901 ( 3394 PWs) bands (ev): -20.6547 -20.6547 -19.0257 -19.0257 -18.8372 -18.8372 -17.8899 -17.8899 -17.8422 -17.8422 -5.6426 -5.6426 -4.9237 -4.9237 -4.5949 -4.5949 -3.9921 -3.9921 -1.0905 -1.0905 -0.9395 -0.9395 -0.9019 -0.9019 -0.4354 -0.4354 -0.1008 -0.1008 0.6619 0.6619 0.9082 0.9082 1.0122 1.0122 1.5082 1.5082 1.8081 1.8081 1.9077 1.9077 12.5351 12.5351 12.8288 12.8288 12.8652 12.8652 13.4066 13.4066 k = 0.3689 0.3689 0.2901 ( 3398 PWs) bands (ev): -20.6576 -20.6576 -19.0420 -19.0420 -18.8301 -18.8301 -17.8908 -17.8908 -17.8363 -17.8363 -5.6323 -5.6323 -4.9085 -4.9085 -4.5969 -4.5969 -3.9611 -3.9611 -1.0644 -1.0644 -0.9752 -0.9752 -0.9219 -0.9219 -0.4205 -0.4205 -0.0772 -0.0772 0.6513 0.6513 0.9212 0.9212 1.0326 1.0326 1.4905 1.4905 1.7900 1.7900 1.8996 1.8996 12.5374 12.5374 12.7792 12.7792 12.9160 12.9160 13.4303 13.4303 k = 0.3607 0.3607 0.2901 ( 3402 PWs) bands (ev): -20.6606 -20.6606 -19.0589 -19.0589 -18.8226 -18.8226 -17.8917 -17.8917 -17.8304 -17.8304 -5.6216 -5.6216 -4.8926 -4.8926 -4.5987 -4.5987 -3.9285 -3.9285 -1.0432 -1.0432 -1.0062 -1.0062 -0.9407 -0.9407 -0.4048 -0.4048 -0.0545 -0.0545 0.6403 0.6403 0.9343 0.9343 1.0535 1.0535 1.4725 1.4725 1.7717 1.7717 1.8910 1.8910 12.5377 12.5377 12.7278 12.7278 12.9687 12.9687 13.4555 13.4555 k = 0.3525 0.3525 0.2901 ( 3402 PWs) bands (ev): -20.6638 -20.6638 -19.0763 -19.0763 -18.8147 -18.8147 -17.8925 -17.8925 -17.8244 -17.8244 -5.6105 -5.6105 -4.8761 -4.8761 -4.6003 -4.6003 -3.8946 -3.8946 -1.0630 -1.0630 -0.9968 -0.9968 -0.9581 -0.9581 -0.3882 -0.3882 -0.0327 -0.0327 0.6291 0.6291 0.9476 0.9476 1.0746 1.0746 1.4543 1.4543 1.7533 1.7533 1.8818 1.8818 12.5360 12.5360 12.6749 12.6749 13.0222 13.0222 13.4823 13.4823 k = 0.3443 0.3443 0.2901 ( 3398 PWs) bands (ev): -20.6672 -20.6672 -19.0941 -19.0941 -18.8065 -18.8065 -17.8933 -17.8933 -17.8183 -17.8183 -5.5992 -5.5992 -4.8590 -4.8590 -4.6017 -4.6017 -3.8592 -3.8592 -1.1026 -1.1026 -0.9782 -0.9782 -0.9639 -0.9639 -0.3707 -0.3707 -0.0120 -0.0120 0.6176 0.6176 0.9608 0.9608 1.0960 1.0960 1.4361 1.4361 1.7348 1.7348 1.8722 1.8722 12.5319 12.5319 12.6209 12.6209 13.0755 13.0755 13.5106 13.5106 k = 0.3361 0.3361 0.2901 ( 3390 PWs) bands (ev): -20.6707 -20.6707 -19.1123 -19.1123 -18.7980 -18.7980 -17.8940 -17.8940 -17.8123 -17.8123 -5.5877 -5.5877 -4.8414 -4.8414 -4.6027 -4.6027 -3.8227 -3.8227 -1.1454 -1.1454 -0.9921 -0.9921 -0.9329 -0.9329 -0.3523 -0.3523 0.0077 0.0077 0.6059 0.6059 0.9739 0.9739 1.1176 1.1176 1.4181 1.4181 1.7164 1.7164 1.8620 1.8620 12.5242 12.5242 12.5670 12.5670 13.1271 13.1271 13.5405 13.5405 k = 0.3279 0.3279 0.2901 ( 3394 PWs) bands (ev): -20.6743 -20.6743 -19.1309 -19.1309 -18.7893 -18.7893 -17.8947 -17.8947 -17.8063 -17.8063 -5.5760 -5.5760 -4.8234 -4.8234 -4.6035 -4.6035 -3.7851 -3.7851 -1.1898 -1.1898 -1.0069 -1.0069 -0.8985 -0.8985 -0.3332 -0.3332 0.0263 0.0263 0.5940 0.5940 0.9868 0.9868 1.1391 1.1391 1.4003 1.4003 1.6982 1.6982 1.8513 1.8513 12.4999 12.4999 12.5259 12.5259 13.1753 13.1753 13.5720 13.5720 k = 0.3197 0.3197 0.2901 ( 3398 PWs) bands (ev): -20.6781 -20.6781 -19.1497 -19.1497 -18.7802 -18.7802 -17.8953 -17.8953 -17.8003 -17.8003 -5.5641 -5.5641 -4.8049 -4.8049 -4.6039 -4.6039 -3.7464 -3.7464 -1.2355 -1.2355 -1.0210 -1.0210 -0.8625 -0.8625 -0.3132 -0.3132 0.0438 0.0438 0.5820 0.5820 0.9993 0.9993 1.1605 1.1605 1.3830 1.3830 1.6804 1.6804 1.8400 1.8400 12.4470 12.4470 12.5095 12.5095 13.2176 13.2176 13.6050 13.6050 k = 0.3115 0.3115 0.2901 ( 3406 PWs) bands (ev): -20.6821 -20.6821 -19.1688 -19.1688 -18.7710 -18.7710 -17.8959 -17.8959 -17.7944 -17.7944 -5.5522 -5.5522 -4.7861 -4.7861 -4.6038 -4.6038 -3.7069 -3.7069 -1.2823 -1.2823 -1.0344 -1.0344 -0.8253 -0.8253 -0.2924 -0.2924 0.0603 0.0603 0.5700 0.5700 1.0112 1.0112 1.1817 1.1817 1.3664 1.3664 1.6629 1.6629 1.8283 1.8283 12.3895 12.3895 12.4935 12.4935 13.2514 13.2514 13.6396 13.6396 k = 0.3033 0.3033 0.2901 ( 3404 PWs) bands (ev): -20.6861 -20.6861 -19.1880 -19.1880 -18.7614 -18.7614 -17.8964 -17.8964 -17.7885 -17.7885 -5.5402 -5.5402 -4.7670 -4.7670 -4.6033 -4.6033 -3.6666 -3.6666 -1.3298 -1.3298 -1.0469 -1.0469 -0.7868 -0.7868 -0.2709 -0.2709 0.0758 0.0758 0.5580 0.5580 1.0224 1.0224 1.2026 1.2026 1.3507 1.3507 1.6459 1.6459 1.8160 1.8160 12.3309 12.3309 12.4738 12.4738 13.2734 13.2734 13.6757 13.6757 k = 0.2951 0.2951 0.2901 ( 3404 PWs) bands (ev): -20.6903 -20.6903 -19.2073 -19.2073 -18.7517 -18.7517 -17.8968 -17.8968 -17.7828 -17.7828 -5.5282 -5.5282 -4.7477 -4.7477 -4.6023 -4.6023 -3.6256 -3.6256 -1.3781 -1.3781 -1.0588 -1.0588 -0.7474 -0.7474 -0.2486 -0.2486 0.0903 0.0903 0.5462 0.5462 1.0327 1.0327 1.2230 1.2230 1.3362 1.3362 1.6295 1.6295 1.8031 1.8031 12.2718 12.2718 12.4497 12.4497 13.2812 13.2812 13.7118 13.7118 k = 0.2869 0.2869 0.2901 ( 3408 PWs) bands (ev): -20.6946 -20.6946 -19.2266 -19.2266 -18.7419 -18.7419 -17.8971 -17.8971 -17.7772 -17.7772 -5.5162 -5.5162 -4.7283 -4.7283 -4.6008 -4.6008 -3.5840 -3.5840 -1.4271 -1.4271 -1.0701 -1.0701 -0.7070 -0.7070 -0.2255 -0.2255 0.1040 0.1040 0.5345 0.5345 1.0416 1.0416 1.2428 1.2428 1.3233 1.3233 1.6137 1.6137 1.7897 1.7897 12.2124 12.2124 12.4202 12.4202 13.2738 13.2738 13.6117 13.6117 k = 0.2787 0.2787 0.2901 ( 3416 PWs) bands (ev): -20.6989 -20.6989 -19.2460 -19.2460 -18.7318 -18.7318 -17.8973 -17.8973 -17.7717 -17.7717 -5.5043 -5.5043 -4.7088 -4.7088 -4.5987 -4.5987 -3.5420 -3.5420 -1.4765 -1.4765 -1.0808 -1.0808 -0.6659 -0.6659 -0.2018 -0.2018 0.1169 0.1169 0.5231 0.5231 1.0491 1.0491 1.2618 1.2618 1.3125 1.3125 1.5984 1.5984 1.7758 1.7758 12.1528 12.1528 12.3848 12.3848 13.2525 13.2525 13.4852 13.4852 k = 0.2705 0.2705 0.2901 ( 3408 PWs) bands (ev): -20.7034 -20.7034 -19.2653 -19.2653 -18.7217 -18.7217 -17.8974 -17.8974 -17.7663 -17.7663 -5.4924 -5.4924 -4.6894 -4.6894 -4.5960 -4.5960 -3.4997 -3.4997 -1.5261 -1.5261 -1.0910 -1.0910 -0.6243 -0.6243 -0.1773 -0.1773 0.1291 0.1291 0.5122 0.5122 1.0546 1.0546 1.2787 1.2787 1.3051 1.3051 1.5838 1.5838 1.7614 1.7614 12.0932 12.0932 12.3429 12.3429 13.2202 13.2202 13.3611 13.3611 k = 0.2623 0.2623 0.2901 ( 3408 PWs) bands (ev): -20.7079 -20.7079 -19.2845 -19.2845 -18.7114 -18.7114 -17.8975 -17.8975 -17.7611 -17.7611 -5.4808 -5.4808 -4.6701 -4.6701 -4.5926 -4.5926 -3.4573 -3.4573 -1.5760 -1.5760 -1.1008 -1.1008 -0.5823 -0.5823 -0.1522 -0.1522 0.1407 0.1407 0.5018 0.5018 1.0580 1.0580 1.2879 1.2879 1.3071 1.3071 1.5698 1.5698 1.7464 1.7464 12.0337 12.0337 12.2942 12.2942 13.1786 13.1786 13.2423 13.2423 k = 0.2541 0.2541 0.2901 ( 3406 PWs) bands (ev): -20.7125 -20.7125 -19.3036 -19.3036 -18.7011 -18.7011 -17.8974 -17.8974 -17.7560 -17.7560 -5.4693 -5.4693 -4.6512 -4.6512 -4.5884 -4.5884 -3.4147 -3.4147 -1.6259 -1.6259 -1.1103 -1.1103 -0.5401 -0.5401 -0.1264 -0.1264 0.1520 0.1520 0.4921 0.4921 1.0590 1.0590 1.2874 1.2874 1.3207 1.3207 1.5564 1.5564 1.7309 1.7309 11.9744 11.9744 12.2387 12.2387 13.1039 13.1039 13.1564 13.1564 k = 0.2459 0.2459 0.2901 ( 3402 PWs) bands (ev): -20.7171 -20.7171 -19.3225 -19.3225 -18.6907 -18.6907 -17.8972 -17.8972 -17.7511 -17.7511 -5.4580 -5.4580 -4.6330 -4.6330 -4.5832 -4.5832 -3.3722 -3.3722 -1.6757 -1.6757 -1.1196 -1.1196 -0.4979 -0.4979 -0.1000 -0.1000 0.1631 0.1631 0.4833 0.4833 1.0577 1.0577 1.2866 1.2866 1.3363 1.3363 1.5435 1.5435 1.7148 1.7148 11.9154 11.9154 12.1768 12.1768 12.9916 12.9916 13.1105 13.1105 k = 0.2377 0.2377 0.2901 ( 3398 PWs) bands (ev): -20.7218 -20.7218 -19.3412 -19.3412 -18.6803 -18.6803 -17.8970 -17.8970 -17.7463 -17.7463 -5.4469 -5.4469 -4.6160 -4.6160 -4.5763 -4.5763 -3.3298 -3.3298 -1.7253 -1.7253 -1.1287 -1.1287 -0.4560 -0.4560 -0.0731 -0.0731 0.1741 0.1741 0.4755 0.4755 1.0540 1.0540 1.2878 1.2878 1.3515 1.3515 1.5311 1.5311 1.6982 1.6982 11.8569 11.8569 12.1090 12.1090 12.8770 12.8770 13.0714 13.0714 k = 0.2295 0.2295 0.2901 ( 3394 PWs) bands (ev): -20.7265 -20.7265 -19.3597 -19.3597 -18.6699 -18.6699 -17.8966 -17.8966 -17.7417 -17.7417 -5.4360 -5.4360 -4.6012 -4.6012 -4.5670 -4.5670 -3.2877 -3.2877 -1.7746 -1.7746 -1.1378 -1.1378 -0.4148 -0.4148 -0.0455 -0.0455 0.1852 0.1852 0.4690 0.4690 1.0484 1.0484 1.2911 1.2911 1.3661 1.3661 1.5191 1.5191 1.6811 1.6811 11.7989 11.7989 12.0363 12.0363 12.7642 12.7642 13.0357 13.0357 k = 0.2213 0.2213 0.2901 ( 3390 PWs) bands (ev): -20.7312 -20.7312 -19.3778 -19.3778 -18.6596 -18.6596 -17.8962 -17.8962 -17.7373 -17.7373 -5.4254 -5.4254 -4.5893 -4.5893 -4.5545 -4.5545 -3.2460 -3.2460 -1.8234 -1.8234 -1.1469 -1.1469 -0.3744 -0.3744 -0.0174 -0.0174 0.1967 0.1967 0.4640 0.4640 1.0411 1.0411 1.2961 1.2961 1.3797 1.3797 1.5073 1.5073 1.6634 1.6634 11.7415 11.7415 11.9598 11.9598 12.6539 12.6539 13.0032 13.0032 k = 0.2131 0.2131 0.2901 ( 3390 PWs) bands (ev): -20.7359 -20.7359 -19.3956 -19.3956 -18.6493 -18.6493 -17.8956 -17.8956 -17.7330 -17.7330 -5.4151 -5.4151 -4.5799 -4.5799 -4.5395 -4.5395 -3.2048 -3.2048 -1.8717 -1.8717 -1.1562 -1.1562 -0.3353 -0.3353 0.0112 0.0112 0.2086 0.2086 0.4608 0.4608 1.0326 1.0326 1.3025 1.3025 1.3924 1.3924 1.4957 1.4957 1.6453 1.6453 11.6848 11.6848 11.8804 11.8804 12.5465 12.5465 12.9736 12.9736 k = 0.2049 0.2049 0.2901 ( 3386 PWs) bands (ev): -20.7406 -20.7406 -19.4130 -19.4130 -18.6391 -18.6391 -17.8950 -17.8950 -17.7290 -17.7290 -5.4051 -5.4051 -4.5719 -4.5719 -4.5229 -4.5229 -3.1642 -3.1642 -1.9191 -1.9191 -1.1656 -1.1656 -0.2978 -0.2978 0.0402 0.0402 0.2212 0.2212 0.4596 0.4596 1.0231 1.0231 1.3101 1.3101 1.4042 1.4042 1.4843 1.4843 1.6266 1.6266 11.6289 11.6289 11.7993 11.7993 12.4419 12.4419 12.9466 12.9466 k = 0.1967 0.1967 0.2901 ( 3382 PWs) bands (ev): -20.7452 -20.7452 -19.4300 -19.4300 -18.6290 -18.6290 -17.8943 -17.8943 -17.7251 -17.7251 -5.3954 -5.3954 -4.5646 -4.5646 -4.5058 -4.5058 -3.1243 -3.1243 -1.9658 -1.9658 -1.1752 -1.1752 -0.2623 -0.2623 0.0697 0.0697 0.2346 0.2346 0.4608 0.4608 1.0131 1.0131 1.3184 1.3184 1.4149 1.4149 1.4728 1.4728 1.6074 1.6074 11.5738 11.5738 11.7173 11.7173 12.3405 12.3405 12.9219 12.9219 k = 0.1885 0.1885 0.2901 ( 3382 PWs) bands (ev): -20.7498 -20.7498 -19.4466 -19.4466 -18.6191 -18.6191 -17.8936 -17.8936 -17.7213 -17.7213 -5.3860 -5.3860 -4.5575 -4.5575 -4.4886 -4.4886 -3.0852 -3.0852 -2.0115 -2.0115 -1.1851 -1.1851 -0.2293 -0.2293 0.0996 0.0996 0.2489 0.2489 0.4645 0.4645 1.0028 1.0028 1.3272 1.3272 1.4246 1.4246 1.4612 1.4612 1.5878 1.5878 11.5196 11.5196 11.6354 11.6354 12.2422 12.2422 12.8990 12.8990 k = 0.1803 0.1803 0.2901 ( 3386 PWs) bands (ev): -20.7543 -20.7543 -19.4627 -19.4627 -18.6094 -18.6094 -17.8928 -17.8928 -17.7178 -17.7178 -5.3770 -5.3770 -4.5504 -4.5504 -4.4715 -4.4715 -3.0471 -3.0471 -2.0562 -2.0562 -1.1953 -1.1953 -0.1989 -0.1989 0.1298 0.1298 0.2643 0.2643 0.4710 0.4710 0.9923 0.9923 1.3363 1.3363 1.4333 1.4333 1.4494 1.4494 1.5677 1.5677 11.4662 11.4662 11.5542 11.5542 12.1473 12.1473 12.8778 12.8778 k = 0.1721 0.1721 0.2901 ( 3382 PWs) bands (ev): -20.7588 -20.7588 -19.4783 -19.4783 -18.5999 -18.5999 -17.8919 -17.8919 -17.7144 -17.7144 -5.3683 -5.3683 -4.5434 -4.5434 -4.4547 -4.4547 -3.0099 -3.0099 -2.0997 -2.0997 -1.2058 -1.2058 -0.1716 -0.1716 0.1604 0.1604 0.2807 0.2807 0.4806 0.4806 0.9818 0.9818 1.3456 1.3456 1.4365 1.4365 1.4418 1.4418 1.5472 1.5472 11.4134 11.4134 11.4749 11.4749 12.0557 12.0557 12.8579 12.8579 k = 0.1639 0.1639 0.2901 ( 3380 PWs) bands (ev): -20.7632 -20.7632 -19.4933 -19.4933 -18.5906 -18.5906 -17.8910 -17.8910 -17.7112 -17.7112 -5.3599 -5.3599 -4.5363 -4.5363 -4.4383 -4.4383 -2.9739 -2.9739 -2.1419 -2.1419 -1.2165 -1.2165 -0.1476 -0.1476 0.1912 0.1912 0.2984 0.2984 0.4932 0.4932 0.9714 0.9714 1.3548 1.3548 1.4243 1.4243 1.4483 1.4483 1.5263 1.5263 11.3601 11.3601 11.3991 11.3991 11.9677 11.9677 12.8392 12.8392 k = 0.1557 0.1557 0.2901 ( 3376 PWs) bands (ev): -20.7674 -20.7674 -19.5078 -19.5078 -18.5815 -18.5815 -17.8900 -17.8900 -17.7082 -17.7082 -5.3518 -5.3518 -4.5292 -4.5292 -4.4223 -4.4223 -2.9391 -2.9391 -2.1827 -2.1827 -1.2275 -1.2275 -0.1268 -0.1268 0.2222 0.2222 0.3173 0.3173 0.5089 0.5089 0.9613 0.9613 1.3638 1.3638 1.4113 1.4113 1.4541 1.4541 1.5051 1.5051 11.3018 11.3018 11.3316 11.3316 11.8834 11.8834 12.8214 12.8214 k = 0.1475 0.1475 0.2901 ( 3372 PWs) bands (ev): -20.7716 -20.7716 -19.5217 -19.5217 -18.5727 -18.5727 -17.8891 -17.8891 -17.7053 -17.7053 -5.3441 -5.3441 -4.5222 -4.5222 -4.4069 -4.4069 -2.9056 -2.9056 -2.2220 -2.2220 -1.2387 -1.2387 -0.1094 -0.1094 0.2533 0.2533 0.3375 0.3375 0.5273 0.5273 0.9515 0.9515 1.3721 1.3721 1.3981 1.3981 1.4589 1.4589 1.4838 1.4838 11.2349 11.2349 11.2768 11.2768 11.8027 11.8027 12.8047 12.8047 k = 0.1393 0.1393 0.2901 ( 3372 PWs) bands (ev): -20.7756 -20.7756 -19.5350 -19.5350 -18.5643 -18.5643 -17.8881 -17.8881 -17.7026 -17.7026 -5.3368 -5.3368 -4.5152 -4.5152 -4.3920 -4.3920 -2.8734 -2.8734 -2.2598 -2.2598 -1.2501 -1.2501 -0.0950 -0.0950 0.2845 0.2845 0.3588 0.3588 0.5482 0.5482 0.9420 0.9420 1.3762 1.3762 1.3881 1.3881 1.4579 1.4579 1.4674 1.4674 11.1658 11.1658 11.2286 11.2286 11.7258 11.7258 12.7887 12.7887 k = 0.1311 0.1311 0.2901 ( 3376 PWs) bands (ev): -20.7795 -20.7795 -19.5477 -19.5477 -18.5562 -18.5562 -17.8871 -17.8871 -17.7001 -17.7001 -5.3299 -5.3299 -4.5084 -4.5084 -4.3777 -4.3777 -2.8427 -2.8427 -2.2959 -2.2959 -1.2615 -1.2615 -0.0835 -0.0835 0.3158 0.3158 0.3813 0.3813 0.5712 0.5712 0.9330 0.9330 1.3652 1.3652 1.3918 1.3918 1.4385 1.4385 1.4686 1.4686 11.0984 11.0984 11.1836 11.1836 11.6529 11.6529 12.7736 12.7736 k = 0.1230 0.1230 0.2901 ( 3376 PWs) bands (ev): -20.7832 -20.7832 -19.5597 -19.5597 -18.5484 -18.5484 -17.8861 -17.8861 -17.6978 -17.6978 -5.3233 -5.3233 -4.5017 -4.5017 -4.3641 -4.3641 -2.8136 -2.8136 -2.3302 -2.3302 -1.2729 -1.2729 -0.0744 -0.0744 0.3470 0.3470 0.4048 0.4048 0.5957 0.5957 0.9244 0.9244 1.3495 1.3495 1.3979 1.3979 1.4177 1.4177 1.4714 1.4714 11.0337 11.0337 11.1408 11.1408 11.5839 11.5839 12.7592 12.7592 k = 0.1148 0.1148 0.2901 ( 3374 PWs) bands (ev): -20.7867 -20.7867 -19.5710 -19.5710 -18.5411 -18.5411 -17.8851 -17.8851 -17.6956 -17.6956 -5.3171 -5.3171 -4.4952 -4.4952 -4.3511 -4.3511 -2.7860 -2.7860 -2.3627 -2.3627 -1.2842 -1.2842 -0.0675 -0.0675 0.3781 0.3781 0.4293 0.4293 0.6212 0.6212 0.9163 0.9163 1.3326 1.3326 1.3907 1.3907 1.4099 1.4099 1.4739 1.4739 10.9722 10.9722 11.1002 11.1002 11.5189 11.5189 12.7456 12.7456 k = 0.1066 0.1066 0.2901 ( 3370 PWs) bands (ev): -20.7900 -20.7900 -19.5817 -19.5817 -18.5341 -18.5341 -17.8841 -17.8841 -17.6936 -17.6936 -5.3112 -5.3112 -4.4889 -4.4889 -4.3389 -4.3389 -2.7601 -2.7601 -2.3933 -2.3933 -1.2953 -1.2953 -0.0624 -0.0624 0.4089 0.4089 0.4546 0.4546 0.6472 0.6472 0.9087 0.9087 1.3147 1.3147 1.3697 1.3697 1.4154 1.4154 1.4759 1.4759 10.9143 10.9143 11.0619 11.0619 11.4581 11.4581 12.7328 12.7328 k = 0.0984 0.0984 0.2901 ( 3370 PWs) bands (ev): -20.7932 -20.7932 -19.5916 -19.5916 -18.5276 -18.5276 -17.8832 -17.8832 -17.6917 -17.6917 -5.3058 -5.3058 -4.4829 -4.4829 -4.3274 -4.3274 -2.7358 -2.7358 -2.4219 -2.4219 -1.3061 -1.3061 -0.0587 -0.0587 0.4394 0.4394 0.4805 0.4805 0.6732 0.6732 0.9017 0.9017 1.2959 1.2959 1.3477 1.3477 1.4216 1.4216 1.4775 1.4775 10.8601 10.8601 11.0258 11.0258 11.4015 11.4015 12.7208 12.7208 k = 0.0902 0.0902 0.2901 ( 3374 PWs) bands (ev): -20.7961 -20.7961 -19.6008 -19.6008 -18.5215 -18.5215 -17.8823 -17.8823 -17.6900 -17.6900 -5.3008 -5.3008 -4.4772 -4.4772 -4.3167 -4.3167 -2.7134 -2.7134 -2.4485 -2.4485 -1.3165 -1.3165 -0.0561 -0.0561 0.4695 0.4695 0.5068 0.5068 0.6987 0.6987 0.8952 0.8952 1.2762 1.2762 1.3257 1.3257 1.4274 1.4274 1.4789 1.4789 10.8098 10.8098 10.9921 10.9921 11.3492 11.3492 12.7095 12.7095 k = 0.0820 0.0820 0.2901 ( 3382 PWs) bands (ev): -20.7988 -20.7988 -19.6092 -19.6092 -18.5159 -18.5159 -17.8814 -17.8814 -17.6884 -17.6884 -5.2962 -5.2962 -4.4719 -4.4719 -4.3068 -4.3068 -2.6928 -2.6928 -2.4730 -2.4730 -1.3264 -1.3264 -0.0545 -0.0545 0.4990 0.4990 0.5333 0.5333 0.7233 0.7233 0.8893 0.8893 1.2559 1.2559 1.3039 1.3039 1.4326 1.4326 1.4800 1.4800 10.7635 10.7635 10.9608 10.9608 11.3011 11.3011 12.6992 12.6992 k = 0.0738 0.0738 0.2901 ( 3374 PWs) bands (ev): -20.8013 -20.8013 -19.6169 -19.6169 -18.5107 -18.5107 -17.8806 -17.8806 -17.6870 -17.6870 -5.2920 -5.2920 -4.4669 -4.4669 -4.2978 -4.2978 -2.6740 -2.6740 -2.4953 -2.4953 -1.3357 -1.3357 -0.0535 -0.0535 0.5277 0.5277 0.5596 0.5596 0.7466 0.7466 0.8841 0.8841 1.2352 1.2352 1.2825 1.2825 1.4372 1.4372 1.4810 1.4810 10.7212 10.7212 10.9322 10.9322 11.2575 11.2575 12.6897 12.6897 k = 0.0656 0.0656 0.2901 ( 3382 PWs) bands (ev): -20.8036 -20.8036 -19.6238 -19.6238 -18.5061 -18.5061 -17.8799 -17.8799 -17.6858 -17.6858 -5.2882 -5.2882 -4.4624 -4.4624 -4.2896 -4.2896 -2.6571 -2.6571 -2.5154 -2.5154 -1.3443 -1.3443 -0.0530 -0.0530 0.5554 0.5554 0.5856 0.5856 0.7681 0.7681 0.8796 0.8796 1.2143 1.2143 1.2617 1.2617 1.4411 1.4411 1.4820 1.4820 10.6832 10.6832 10.9062 10.9062 11.2183 11.2183 12.6811 12.6811 k = 0.0574 0.0574 0.2901 ( 3382 PWs) bands (ev): -20.8056 -20.8056 -19.6299 -19.6299 -18.5019 -18.5019 -17.8792 -17.8792 -17.6847 -17.6847 -5.2848 -5.2848 -4.4584 -4.4584 -4.2823 -4.2823 -2.6421 -2.6421 -2.5332 -2.5332 -1.3521 -1.3521 -0.0529 -0.0529 0.5818 0.5818 0.6107 0.6107 0.7876 0.7876 0.8758 0.8758 1.1936 1.1936 1.2417 1.2417 1.4444 1.4444 1.4829 1.4829 10.6495 10.6495 10.8831 10.8831 11.1836 11.1836 12.6734 12.6734 k = 0.0492 0.0492 0.2901 ( 3378 PWs) bands (ev): -20.8073 -20.8073 -19.6353 -19.6353 -18.4983 -18.4983 -17.8786 -17.8786 -17.6837 -17.6837 -5.2819 -5.2819 -4.4548 -4.4548 -4.2760 -4.2760 -2.6292 -2.6292 -2.5486 -2.5486 -1.3590 -1.3590 -0.0529 -0.0529 0.6065 0.6065 0.6345 0.6345 0.8048 0.8048 0.8729 0.8729 1.1735 1.1735 1.2227 1.2227 1.4470 1.4470 1.4839 1.4839 10.6202 10.6202 10.8628 10.8628 11.1535 11.1535 12.6667 12.6667 k = 0.0410 0.0410 0.2901 ( 3378 PWs) bands (ev): -20.8088 -20.8088 -19.6398 -19.6398 -18.4952 -18.4952 -17.8781 -17.8781 -17.6830 -17.6830 -5.2794 -5.2794 -4.4517 -4.4517 -4.2706 -4.2706 -2.6182 -2.6182 -2.5617 -2.5617 -1.3650 -1.3650 -0.0531 -0.0531 0.6291 0.6291 0.6566 0.6566 0.8192 0.8192 0.8709 0.8709 1.1545 1.1545 1.2051 1.2051 1.4490 1.4490 1.4848 1.4848 10.5953 10.5953 10.8455 10.8455 11.1279 11.1279 12.6610 12.6610 k = 0.0328 0.0328 0.2901 ( 3386 PWs) bands (ev): -20.8101 -20.8101 -19.6435 -19.6435 -18.4927 -18.4927 -17.8777 -17.8777 -17.6823 -17.6823 -5.2774 -5.2774 -4.4492 -4.4492 -4.2661 -4.2661 -2.6094 -2.6094 -2.5723 -2.5723 -1.3700 -1.3700 -0.0534 -0.0534 0.6489 0.6489 0.6762 0.6762 0.8304 0.8304 0.8701 0.8701 1.1373 1.1373 1.1895 1.1895 1.4504 1.4504 1.4856 1.4856 10.5748 10.5748 10.8312 10.8312 11.1069 11.1069 12.6562 12.6562 k = 0.0246 0.0246 0.2901 ( 3386 PWs) bands (ev): -20.8110 -20.8110 -19.6464 -19.6464 -18.4908 -18.4908 -17.8774 -17.8774 -17.6818 -17.6818 -5.2758 -5.2758 -4.4472 -4.4472 -4.2627 -4.2627 -2.6029 -2.6029 -2.5802 -2.5802 -1.3740 -1.3740 -0.0537 -0.0537 0.6654 0.6654 0.6927 0.6927 0.8384 0.8384 0.8706 0.8706 1.1227 1.1227 1.1764 1.1764 1.4515 1.4515 1.4864 1.4864 10.5588 10.5588 10.8200 10.8200 11.0906 11.0906 12.6526 12.6526 k = 0.0164 0.0164 0.2901 ( 3400 PWs) bands (ev): -20.8117 -20.8117 -19.6485 -19.6485 -18.4893 -18.4893 -17.8771 -17.8771 -17.6814 -17.6814 -5.2746 -5.2746 -4.4458 -4.4458 -4.2602 -4.2602 -2.5990 -2.5990 -2.5850 -2.5850 -1.3768 -1.3768 -0.0539 -0.0539 0.6778 0.6778 0.7052 0.7052 0.8431 0.8431 0.8720 0.8720 1.1113 1.1113 1.1663 1.1663 1.4521 1.4521 1.4869 1.4869 10.5474 10.5474 10.8120 10.8120 11.0789 11.0789 12.6499 12.6499 k = 0.0082 0.0082 0.2901 ( 3400 PWs) bands (ev): -20.8121 -20.8121 -19.6497 -19.6497 -18.4885 -18.4885 -17.8770 -17.8770 -17.6812 -17.6812 -5.2739 -5.2739 -4.4449 -4.4449 -4.2587 -4.2587 -2.5978 -2.5978 -2.5868 -2.5868 -1.3786 -1.3786 -0.0540 -0.0540 0.6856 0.6856 0.7131 0.7131 0.8454 0.8454 0.8735 0.8735 1.1041 1.1041 1.1601 1.1601 1.4525 1.4525 1.4873 1.4873 10.5406 10.5406 10.8072 10.8072 11.0718 11.0718 12.6483 12.6483 k = 0.0000 0.0000 0.2901 ( 3402 PWs) bands (ev): -20.8123 -20.8123 -19.6501 -19.6501 -18.4882 -18.4882 -17.8770 -17.8770 -17.6812 -17.6812 -5.2737 -5.2737 -4.4446 -4.4446 -4.2582 -4.2582 -2.5978 -2.5978 -2.5870 -2.5870 -1.3791 -1.3791 -0.0541 -0.0541 0.6882 0.6882 0.7158 0.7158 0.8461 0.8461 0.8741 0.8741 1.1017 1.1017 1.1579 1.1579 1.4526 1.4526 1.4874 1.4874 10.5383 10.5383 10.8056 10.8056 11.0695 11.0695 12.6478 12.6478 k = 0.0000 0.5000-0.0000 ( 3400 PWs) bands (ev): -20.7052 -20.7052 -19.1430 -19.1430 -18.9149 -18.9149 -17.8180 -17.8180 -17.8146 -17.8146 -5.5803 -5.5803 -4.8076 -4.8076 -4.2618 -4.2618 -2.8335 -2.8335 -2.2314 -2.2314 -0.5765 -0.5765 -0.5109 -0.5109 -0.1690 -0.1690 0.1993 0.1993 0.2718 0.2718 0.9184 0.9184 1.0741 1.0741 1.1357 1.1357 1.3506 1.3506 1.9697 1.9697 11.5799 11.5799 12.2035 12.2035 12.2798 12.2798 13.2442 13.2442 k = 0.0000 0.5000 0.0116 ( 3400 PWs) bands (ev): -20.7052 -20.7052 -19.1430 -19.1430 -18.9149 -18.9149 -17.8225 -17.8225 -17.8102 -17.8102 -5.5802 -5.5802 -4.8075 -4.8075 -4.2618 -4.2618 -2.8334 -2.8334 -2.2314 -2.2314 -0.5779 -0.5779 -0.5124 -0.5124 -0.1681 -0.1681 0.2010 0.2010 0.2718 0.2718 0.9194 0.9194 1.0736 1.0736 1.1345 1.1345 1.3518 1.3518 1.9691 1.9691 11.5800 11.5800 12.2052 12.2052 12.2756 12.2756 13.2501 13.2501 k = 0.0000 0.5000 0.0232 ( 3410 PWs) bands (ev): -20.7052 -20.7052 -19.1429 -19.1429 -18.9149 -18.9149 -17.8284 -17.8284 -17.8044 -17.8044 -5.5801 -5.5801 -4.8072 -4.8072 -4.2618 -4.2618 -2.8330 -2.8330 -2.2314 -2.2314 -0.5819 -0.5819 -0.5170 -0.5170 -0.1655 -0.1655 0.2062 0.2062 0.2718 0.2718 0.9223 0.9223 1.0723 1.0723 1.1311 1.1311 1.3552 1.3552 1.9674 1.9674 11.5803 11.5803 12.2101 12.2101 12.2632 12.2632 13.2673 13.2673 k = 0.0000 0.5000 0.0348 ( 3412 PWs) bands (ev): -20.7052 -20.7052 -19.1427 -19.1427 -18.9149 -18.9149 -17.8344 -17.8344 -17.7987 -17.7987 -5.5798 -5.5798 -4.8067 -4.8067 -4.2616 -4.2616 -2.8323 -2.8323 -2.2312 -2.2312 -0.5885 -0.5885 -0.5245 -0.5245 -0.1614 -0.1614 0.2146 0.2146 0.2718 0.2718 0.9272 0.9272 1.0701 1.0701 1.1258 1.1258 1.3607 1.3607 1.9645 1.9645 11.5808 11.5808 12.2180 12.2180 12.2439 12.2439 13.2950 13.2950 k = 0.0000 0.5000 0.0464 ( 3420 PWs) bands (ev): -20.7052 -20.7052 -19.1425 -19.1425 -18.9150 -18.9150 -17.8403 -17.8403 -17.7931 -17.7931 -5.5794 -5.5794 -4.8061 -4.8061 -4.2615 -4.2615 -2.8314 -2.8314 -2.2310 -2.2310 -0.5973 -0.5973 -0.5346 -0.5346 -0.1559 -0.1559 0.2260 0.2260 0.2720 0.2720 0.9340 0.9340 1.0671 1.0671 1.1188 1.1188 1.3678 1.3678 1.9604 1.9604 11.5815 11.5815 12.2154 12.2154 12.2323 12.2323 13.3320 13.3320 k = 0.0000 0.5000 0.0580 ( 3420 PWs) bands (ev): -20.7052 -20.7052 -19.1421 -19.1421 -18.9150 -18.9150 -17.8462 -17.8462 -17.7876 -17.7876 -5.5789 -5.5789 -4.8053 -4.8053 -4.2613 -4.2613 -2.8302 -2.8302 -2.2308 -2.2308 -0.6080 -0.6080 -0.5468 -0.5468 -0.1494 -0.1494 0.2397 0.2397 0.2724 0.2724 0.9427 0.9427 1.0632 1.0632 1.1105 1.1105 1.3762 1.3762 1.9553 1.9553 11.5824 11.5824 12.1861 12.1861 12.2463 12.2463 13.3768 13.3768 k = 0.0000 0.5000 0.0696 ( 3416 PWs) bands (ev): -20.7052 -20.7052 -19.1418 -19.1418 -18.9151 -18.9151 -17.8520 -17.8520 -17.7822 -17.7822 -5.5783 -5.5783 -4.8043 -4.8043 -4.2610 -4.2610 -2.8287 -2.8287 -2.2305 -2.2305 -0.6203 -0.6203 -0.5610 -0.5610 -0.1421 -0.1421 0.2546 0.2546 0.2740 0.2740 0.9530 0.9530 1.0584 1.0584 1.1013 1.1013 1.3856 1.3856 1.9491 1.9491 11.5834 11.5834 12.1523 12.1523 12.2645 12.2645 13.4282 13.4282 k = 0.0000 0.5000 0.0812 ( 3408 PWs) bands (ev): -20.7051 -20.7051 -19.1413 -19.1413 -18.9151 -18.9151 -17.8577 -17.8577 -17.7770 -17.7770 -5.5777 -5.5777 -4.8032 -4.8032 -4.2608 -4.2608 -2.8270 -2.8270 -2.2302 -2.2302 -0.6338 -0.6338 -0.5766 -0.5766 -0.1343 -0.1343 0.2653 0.2653 0.2818 0.2818 0.9650 0.9650 1.0528 1.0528 1.0916 1.0916 1.3956 1.3956 1.9418 1.9418 11.5845 11.5845 12.1163 12.1163 12.2862 12.2862 13.4850 13.4850 k = 0.0000 0.5000 0.0928 ( 3410 PWs) bands (ev): -20.7051 -20.7051 -19.1409 -19.1409 -18.9152 -18.9152 -17.8633 -17.8633 -17.7719 -17.7719 -5.5769 -5.5769 -4.8020 -4.8020 -4.2605 -4.2605 -2.8252 -2.8252 -2.2299 -2.2299 -0.6481 -0.6481 -0.5933 -0.5933 -0.1262 -0.1262 0.2681 0.2681 0.2992 0.2992 0.9783 0.9783 1.0464 1.0464 1.0814 1.0814 1.4061 1.4061 1.9336 1.9336 11.5857 11.5857 12.0789 12.0789 12.3112 12.3112 13.5463 13.5463 k = 0.0000 0.5000 0.1044 ( 3410 PWs) bands (ev): -20.7050 -20.7050 -19.1404 -19.1404 -18.9153 -18.9153 -17.8688 -17.8688 -17.7671 -17.7671 -5.5761 -5.5761 -4.8007 -4.8007 -4.2601 -4.2601 -2.8232 -2.8232 -2.2295 -2.2295 -0.6631 -0.6631 -0.6109 -0.6109 -0.1180 -0.1180 0.2687 0.2687 0.3199 0.3199 0.9930 0.9930 1.0393 1.0393 1.0712 1.0712 1.4167 1.4167 1.9244 1.9244 11.5870 11.5870 12.0411 12.0411 12.3395 12.3395 13.6114 13.6114 k = 0.0000 0.5000 0.1160 ( 3418 PWs) bands (ev): -20.7050 -20.7050 -19.1398 -19.1398 -18.9153 -18.9153 -17.8740 -17.8740 -17.7625 -17.7625 -5.5753 -5.5753 -4.7993 -4.7993 -4.2598 -4.2598 -2.8210 -2.8210 -2.2291 -2.2291 -0.6783 -0.6783 -0.6288 -0.6288 -0.1099 -0.1099 0.2688 0.2688 0.3422 0.3422 1.0085 1.0085 1.0317 1.0317 1.0609 1.0609 1.4272 1.4272 1.9144 1.9144 11.5883 11.5883 12.0035 12.0035 12.3709 12.3709 13.6794 13.6794 k = 0.0000 0.5000 0.1276 ( 3422 PWs) bands (ev): -20.7050 -20.7050 -19.1393 -19.1393 -18.9154 -18.9154 -17.8791 -17.8791 -17.7581 -17.7581 -5.5744 -5.5744 -4.7978 -4.7978 -4.2594 -4.2594 -2.8188 -2.8188 -2.2287 -2.2287 -0.6936 -0.6936 -0.6469 -0.6469 -0.1020 -0.1020 0.2688 0.2688 0.3652 0.3652 1.0196 1.0196 1.0287 1.0287 1.0509 1.0509 1.4376 1.4376 1.9037 1.9037 11.5897 11.5897 11.9666 11.9666 12.4054 12.4054 13.7499 13.7499 k = 0.0000 0.5000 0.1392 ( 3414 PWs) bands (ev): -20.7049 -20.7049 -19.1387 -19.1387 -18.9155 -18.9155 -17.8839 -17.8839 -17.7539 -17.7539 -5.5735 -5.5735 -4.7963 -4.7963 -4.2590 -4.2590 -2.8164 -2.8164 -2.2282 -2.2282 -0.7086 -0.7086 -0.6648 -0.6648 -0.0945 -0.0945 0.2687 0.2687 0.3888 0.3888 1.0125 1.0125 1.0391 1.0391 1.0461 1.0461 1.4478 1.4478 1.8922 1.8922 11.5910 11.5910 11.9309 11.9309 12.4428 12.4428 13.8225 13.8225 k = 0.0000 0.5000 0.1508 ( 3406 PWs) bands (ev): -20.7049 -20.7049 -19.1381 -19.1381 -18.9156 -18.9156 -17.8885 -17.8885 -17.7500 -17.7500 -5.5726 -5.5726 -4.7947 -4.7947 -4.2586 -4.2586 -2.8140 -2.8140 -2.2278 -2.2278 -0.7233 -0.7233 -0.6823 -0.6823 -0.0874 -0.0874 0.2685 0.2685 0.4126 0.4126 1.0030 1.0030 1.0306 1.0306 1.0629 1.0629 1.4575 1.4575 1.8803 1.8803 11.5923 11.5923 11.8968 11.8968 12.4831 12.4831 13.8966 13.8966 k = 0.0000 0.5000 0.1624 ( 3406 PWs) bands (ev): -20.7048 -20.7048 -19.1375 -19.1375 -18.9156 -18.9156 -17.8928 -17.8928 -17.7464 -17.7464 -5.5717 -5.5717 -4.7932 -4.7932 -4.2583 -4.2583 -2.8116 -2.8116 -2.2274 -2.2274 -0.7374 -0.7374 -0.6992 -0.6992 -0.0808 -0.0808 0.2683 0.2683 0.4364 0.4364 0.9930 0.9930 1.0214 1.0214 1.0813 1.0813 1.4668 1.4668 1.8679 1.8679 11.5935 11.5935 11.8644 11.8644 12.5259 12.5259 13.9718 13.9718 k = 0.0000 0.5000 0.1741 ( 3406 PWs) bands (ev): -20.7048 -20.7048 -19.1369 -19.1369 -18.9157 -18.9157 -17.8969 -17.8969 -17.7431 -17.7431 -5.5708 -5.5708 -4.7918 -4.7918 -4.2579 -4.2579 -2.8093 -2.8093 -2.2269 -2.2269 -0.7508 -0.7508 -0.7153 -0.7153 -0.0747 -0.0747 0.2681 0.2681 0.4599 0.4599 0.9825 0.9825 1.0126 1.0126 1.0998 1.0998 1.4755 1.4755 1.8553 1.8553 11.5947 11.5947 11.8342 11.8342 12.5710 12.5710 14.0476 14.0476 k = 0.0000 0.5000 0.1857 ( 3408 PWs) bands (ev): -20.7047 -20.7047 -19.1364 -19.1364 -18.9158 -18.9158 -17.9006 -17.9006 -17.7400 -17.7400 -5.5700 -5.5700 -4.7903 -4.7903 -4.2575 -4.2575 -2.8070 -2.8070 -2.2265 -2.2265 -0.7633 -0.7633 -0.7305 -0.7305 -0.0692 -0.0692 0.2680 0.2680 0.4828 0.4828 0.9717 0.9717 1.0043 1.0043 1.1182 1.1182 1.4836 1.4836 1.8426 1.8426 11.5958 11.5958 11.8063 11.8063 12.6180 12.6180 14.1231 14.1231 k = 0.0000 0.5000 0.1973 ( 3404 PWs) bands (ev): -20.7047 -20.7047 -19.1359 -19.1359 -18.9159 -18.9159 -17.9039 -17.9039 -17.7373 -17.7373 -5.5692 -5.5692 -4.7890 -4.7890 -4.2572 -4.2572 -2.8048 -2.8048 -2.2261 -2.2261 -0.7748 -0.7748 -0.7445 -0.7445 -0.0642 -0.0642 0.2678 0.2678 0.5050 0.5050 0.9607 0.9607 0.9967 0.9967 1.1361 1.1361 1.4909 1.4909 1.8301 1.8301 11.5968 11.5968 11.7809 11.7809 12.6665 12.6665 14.1951 14.1951 k = 0.0000 0.5000 0.2089 ( 3404 PWs) bands (ev): -20.7047 -20.7047 -19.1354 -19.1354 -18.9159 -18.9159 -17.9069 -17.9069 -17.7348 -17.7348 -5.5684 -5.5684 -4.7878 -4.7878 -4.2569 -4.2569 -2.8028 -2.8028 -2.2258 -2.2258 -0.7852 -0.7852 -0.7571 -0.7571 -0.0599 -0.0599 0.2676 0.2676 0.5262 0.5262 0.9496 0.9496 0.9899 0.9899 1.1531 1.1531 1.4976 1.4976 1.8180 1.8180 11.5978 11.5978 11.7582 11.7582 12.7158 12.7158 14.2144 14.2144 k = 0.0000 0.5000 0.2205 ( 3398 PWs) bands (ev): -20.7046 -20.7046 -19.1349 -19.1349 -18.9160 -18.9160 -17.9096 -17.9096 -17.7327 -17.7327 -5.5678 -5.5678 -4.7867 -4.7867 -4.2566 -4.2566 -2.8009 -2.8009 -2.2255 -2.2255 -0.7944 -0.7944 -0.7684 -0.7684 -0.0561 -0.0561 0.2675 0.2675 0.5459 0.5459 0.9387 0.9387 0.9839 0.9839 1.1689 1.1689 1.5034 1.5034 1.8066 1.8066 11.5986 11.5986 11.7382 11.7382 12.7650 12.7650 14.1394 14.1394 k = 0.0000 0.5000 0.2321 ( 3396 PWs) bands (ev): -20.7046 -20.7046 -19.1346 -19.1346 -18.9160 -18.9160 -17.9118 -17.9118 -17.7308 -17.7308 -5.5672 -5.5672 -4.7857 -4.7857 -4.2563 -4.2563 -2.7993 -2.7993 -2.2252 -2.2252 -0.8023 -0.8023 -0.7781 -0.7781 -0.0528 -0.0528 0.2673 0.2673 0.5639 0.5639 0.9284 0.9284 0.9788 0.9788 1.1832 1.1832 1.5084 1.5084 1.7962 1.7962 11.5993 11.5993 11.7211 11.7211 12.8129 12.8129 14.0619 14.0619 k = 0.0000 0.5000 0.2437 ( 3404 PWs) bands (ev): -20.7046 -20.7046 -19.1342 -19.1342 -18.9161 -18.9161 -17.9137 -17.9137 -17.7294 -17.7294 -5.5667 -5.5667 -4.7849 -4.7849 -4.2561 -4.2561 -2.7980 -2.7980 -2.2250 -2.2250 -0.8088 -0.8088 -0.7862 -0.7862 -0.0502 -0.0502 0.2672 0.2672 0.5798 0.5798 0.9188 0.9188 0.9745 0.9745 1.1956 1.1956 1.5126 1.5126 1.7870 1.7870 11.5998 11.5998 11.7070 11.7070 12.8577 12.8577 13.9917 13.9917 k = 0.0000 0.5000 0.2553 ( 3410 PWs) bands (ev): -20.7045 -20.7045 -19.1340 -19.1340 -18.9161 -18.9161 -17.9152 -17.9152 -17.7282 -17.7282 -5.5663 -5.5663 -4.7842 -4.7842 -4.2560 -4.2560 -2.7969 -2.7969 -2.2248 -2.2248 -0.8140 -0.8140 -0.7925 -0.7925 -0.0482 -0.0482 0.2671 0.2671 0.5929 0.5929 0.9106 0.9106 0.9712 0.9712 1.2057 1.2057 1.5158 1.5158 1.7795 1.7795 11.6003 11.6003 11.6960 11.6960 12.8973 12.8973 13.9320 13.9320 k = 0.0000 0.5000 0.2669 ( 3410 PWs) bands (ev): -20.7045 -20.7045 -19.1338 -19.1338 -18.9161 -18.9161 -17.9162 -17.9162 -17.7274 -17.7274 -5.5661 -5.5661 -4.7837 -4.7837 -4.2558 -4.2558 -2.7961 -2.7961 -2.2246 -2.2246 -0.8177 -0.8177 -0.7971 -0.7971 -0.0468 -0.0468 0.2670 0.2670 0.6028 0.6028 0.9042 0.9042 0.9689 0.9689 1.2131 1.2131 1.5182 1.5182 1.7739 1.7739 11.6006 11.6006 11.6881 11.6881 12.9289 12.9289 13.8860 13.8860 k = 0.0000 0.5000 0.2785 ( 3402 PWs) bands (ev): -20.7045 -20.7045 -19.1337 -19.1337 -18.9161 -18.9161 -17.9169 -17.9169 -17.7269 -17.7269 -5.5659 -5.5659 -4.7834 -4.7834 -4.2558 -4.2558 -2.7956 -2.7956 -2.2246 -2.2246 -0.8199 -0.8199 -0.7999 -0.7999 -0.0459 -0.0459 0.2670 0.2670 0.6090 0.6090 0.9002 0.9002 0.9674 0.9674 1.2177 1.2177 1.5196 1.5196 1.7704 1.7704 11.6008 11.6008 11.6833 11.6833 12.9496 12.9496 13.8566 13.8566 k = 0.0000 0.5000 0.2901 ( 3400 PWs) bands (ev): -20.7045 -20.7045 -19.1337 -19.1337 -18.9162 -18.9162 -17.9171 -17.9171 -17.7267 -17.7267 -5.5658 -5.5658 -4.7833 -4.7833 -4.2557 -4.2557 -2.7954 -2.7954 -2.2245 -2.2245 -0.8206 -0.8206 -0.8008 -0.8008 -0.0456 -0.0456 0.2670 0.2670 0.6111 0.6111 0.8988 0.8988 0.9670 0.9670 1.2193 1.2193 1.5201 1.5201 1.7692 1.7692 11.6009 11.6009 11.6817 11.6817 12.9568 12.9568 13.8465 13.8465 k = 0.5000 0.5000-0.0000 ( 3400 PWs) bands (ev): -20.6336 -20.6336 -18.8924 -18.8924 -18.8911 -18.8911 -17.9821 -17.9821 -17.7915 -17.7915 -5.7134 -5.7134 -5.0229 -5.0229 -4.5519 -4.5519 -4.3036 -4.3036 -1.3394 -1.3394 -0.7290 -0.7290 -0.7194 -0.7194 -0.6383 -0.6383 0.0774 0.0774 0.2660 0.2660 1.0624 1.0624 1.0661 1.0661 1.6618 1.6618 1.8577 1.8577 1.8818 1.8818 12.4472 12.4472 12.9630 12.9630 13.5438 13.5438 13.5532 13.5532 k = 0.5000 0.5000 0.0116 ( 3408 PWs) bands (ev): -20.6336 -20.6336 -18.8924 -18.8924 -18.8911 -18.8911 -17.9819 -17.9819 -17.7917 -17.7917 -5.7134 -5.7134 -5.0230 -5.0230 -4.5520 -4.5520 -4.3033 -4.3033 -1.3392 -1.3392 -0.7284 -0.7284 -0.7189 -0.7189 -0.6383 -0.6383 0.0693 0.0693 0.2738 0.2738 1.0614 1.0614 1.0649 1.0649 1.6618 1.6618 1.8582 1.8582 1.8822 1.8822 12.4468 12.4468 12.9613 12.9613 13.5422 13.5422 13.5515 13.5515 k = 0.5000 0.5000 0.0232 ( 3408 PWs) bands (ev): -20.6336 -20.6336 -18.8924 -18.8924 -18.8911 -18.8911 -17.9814 -17.9814 -17.7922 -17.7922 -5.7136 -5.7136 -5.0233 -5.0233 -4.5522 -4.5522 -4.3025 -4.3025 -1.3387 -1.3387 -0.7264 -0.7264 -0.7172 -0.7172 -0.6383 -0.6383 0.0483 0.0483 0.2942 0.2942 1.0585 1.0585 1.0615 1.0615 1.6619 1.6619 1.8597 1.8597 1.8834 1.8834 12.4458 12.4458 12.9564 12.9564 13.5374 13.5374 13.5467 13.5467 k = 0.5000 0.5000 0.0348 ( 3412 PWs) bands (ev): -20.6336 -20.6336 -18.8924 -18.8924 -18.8911 -18.8911 -17.9805 -17.9805 -17.7932 -17.7932 -5.7138 -5.7138 -5.0236 -5.0236 -4.5526 -4.5526 -4.3011 -4.3011 -1.3378 -1.3378 -0.7232 -0.7232 -0.7145 -0.7145 -0.6382 -0.6382 0.0197 0.0197 0.3217 0.3217 1.0536 1.0536 1.0559 1.0559 1.6619 1.6619 1.8622 1.8622 1.8855 1.8855 12.4440 12.4440 12.9482 12.9482 13.5297 13.5297 13.5387 13.5387 k = 0.5000 0.5000 0.0464 ( 3412 PWs) bands (ev): -20.6336 -20.6336 -18.8924 -18.8924 -18.8911 -18.8911 -17.9792 -17.9792 -17.7946 -17.7946 -5.7142 -5.7142 -5.0241 -5.0241 -4.5532 -4.5532 -4.2992 -4.2992 -1.3366 -1.3366 -0.7186 -0.7186 -0.7107 -0.7107 -0.6380 -0.6380 -0.0127 -0.0127 0.3527 0.3527 1.0470 1.0470 1.0481 1.0481 1.6619 1.6619 1.8657 1.8657 1.8883 1.8883 12.4415 12.4415 12.9369 12.9369 13.5192 13.5192 13.5280 13.5280 k = 0.5000 0.5000 0.0580 ( 3432 PWs) bands (ev): -20.6336 -20.6336 -18.8924 -18.8924 -18.8911 -18.8911 -17.9777 -17.9777 -17.7963 -17.7963 -5.7146 -5.7146 -5.0248 -5.0248 -4.5539 -4.5539 -4.2968 -4.2968 -1.3351 -1.3351 -0.7129 -0.7129 -0.7059 -0.7059 -0.6378 -0.6378 -0.0472 -0.0472 0.3852 0.3852 1.0384 1.0384 1.0386 1.0386 1.6619 1.6619 1.8699 1.8699 1.8918 1.8918 12.4385 12.4385 12.9229 12.9229 13.5062 13.5062 13.5147 13.5147 k = 0.5000 0.5000 0.0696 ( 3432 PWs) bands (ev): -20.6336 -20.6336 -18.8924 -18.8924 -18.8911 -18.8911 -17.9757 -17.9757 -17.7983 -17.7983 -5.7151 -5.7151 -5.0256 -5.0256 -4.5548 -4.5548 -4.2939 -4.2939 -1.3333 -1.3333 -0.7061 -0.7061 -0.7002 -0.7002 -0.6375 -0.6375 -0.0824 -0.0824 0.4182 0.4182 1.0270 1.0270 1.0287 1.0287 1.6620 1.6620 1.8748 1.8748 1.8958 1.8958 12.4348 12.4348 12.9063 12.9063 13.4911 13.4911 13.4993 13.4993 k = 0.5000 0.5000 0.0812 ( 3408 PWs) bands (ev): -20.6335 -20.6335 -18.8924 -18.8924 -18.8911 -18.8911 -17.9733 -17.9733 -17.8008 -17.8008 -5.7157 -5.7157 -5.0264 -5.0264 -4.5558 -4.5558 -4.2906 -4.2906 -1.3313 -1.3313 -0.6981 -0.6981 -0.6937 -0.6937 -0.6370 -0.6370 -0.1177 -0.1177 0.4511 0.4511 1.0139 1.0139 1.0174 1.0174 1.6620 1.6620 1.8803 1.8803 1.9004 1.9004 12.4307 12.4307 12.8876 12.8876 13.4744 13.4744 13.4823 13.4823 k = 0.5000 0.5000 0.0928 ( 3408 PWs) bands (ev): -20.6335 -20.6335 -18.8924 -18.8924 -18.8911 -18.8911 -17.9707 -17.9707 -17.8035 -17.8035 -5.7164 -5.7164 -5.0274 -5.0274 -4.5568 -4.5568 -4.2869 -4.2869 -1.3290 -1.3290 -0.6892 -0.6892 -0.6866 -0.6866 -0.6364 -0.6364 -0.1527 -0.1527 0.4834 0.4834 0.9995 0.9995 1.0049 1.0049 1.6620 1.6620 1.8863 1.8863 1.9054 1.9054 12.4260 12.4260 12.8670 12.8670 13.4564 13.4564 13.4639 13.4639 k = 0.5000 0.5000 0.1044 ( 3400 PWs) bands (ev): -20.6335 -20.6335 -18.8924 -18.8924 -18.8911 -18.8911 -17.9677 -17.9677 -17.8067 -17.8067 -5.7171 -5.7171 -5.0285 -5.0285 -4.5580 -4.5580 -4.2829 -4.2829 -1.3265 -1.3265 -0.6794 -0.6794 -0.6790 -0.6790 -0.6354 -0.6354 -0.1871 -0.1871 0.5148 0.5148 0.9839 0.9839 0.9914 0.9914 1.6621 1.6621 1.8926 1.8926 1.9106 1.9106 12.4211 12.4211 12.8449 12.8449 13.4375 13.4375 13.4446 13.4446 k = 0.5000 0.5000 0.1160 ( 3400 PWs) bands (ev): -20.6335 -20.6335 -18.8924 -18.8924 -18.8911 -18.8911 -17.9645 -17.9645 -17.8101 -17.8101 -5.7178 -5.7178 -5.0296 -5.0296 -4.5592 -4.5592 -4.2786 -4.2786 -1.3239 -1.3239 -0.6713 -0.6713 -0.6689 -0.6689 -0.6340 -0.6340 -0.2206 -0.2206 0.5451 0.5451 0.9674 0.9674 0.9771 0.9771 1.6621 1.6621 1.8991 1.8991 1.9160 1.9160 12.4158 12.4158 12.8218 12.8218 13.4180 13.4180 13.4248 13.4248 k = 0.5000 0.5000 0.1276 ( 3400 PWs) bands (ev): -20.6335 -20.6335 -18.8924 -18.8924 -18.8911 -18.8911 -17.9609 -17.9609 -17.8138 -17.8138 -5.7186 -5.7186 -5.0308 -5.0308 -4.5605 -4.5605 -4.2742 -4.2742 -1.3211 -1.3211 -0.6639 -0.6639 -0.6578 -0.6578 -0.6318 -0.6318 -0.2530 -0.2530 0.5741 0.5741 0.9502 0.9502 0.9622 0.9622 1.6621 1.6621 1.9056 1.9056 1.9216 1.9216 12.4103 12.4103 12.7980 12.7980 13.3984 13.3984 13.4048 13.4048 k = 0.5000 0.5000 0.1392 ( 3392 PWs) bands (ev): -20.6335 -20.6335 -18.8923 -18.8923 -18.8911 -18.8911 -17.9571 -17.9571 -17.8178 -17.8178 -5.7194 -5.7194 -5.0320 -5.0320 -4.5619 -4.5619 -4.2696 -4.2696 -1.3183 -1.3183 -0.6575 -0.6575 -0.6462 -0.6462 -0.6281 -0.6281 -0.2840 -0.2840 0.6016 0.6016 0.9326 0.9326 0.9469 0.9469 1.6622 1.6622 1.9122 1.9122 1.9271 1.9271 12.4047 12.4047 12.7739 12.7739 13.3789 13.3789 13.3849 13.3849 k = 0.5000 0.5000 0.1508 ( 3392 PWs) bands (ev): -20.6335 -20.6335 -18.8923 -18.8923 -18.8911 -18.8911 -17.9530 -17.9530 -17.8221 -17.8221 -5.7202 -5.7202 -5.0332 -5.0332 -4.5632 -4.5632 -4.2649 -4.2649 -1.3155 -1.3155 -0.6526 -0.6526 -0.6343 -0.6343 -0.6228 -0.6228 -0.3136 -0.3136 0.6276 0.6276 0.9149 0.9149 0.9315 0.9315 1.6622 1.6622 1.9186 1.9186 1.9325 1.9325 12.3991 12.3991 12.7499 12.7499 13.3598 13.3598 13.3656 13.3656 k = 0.5000 0.5000 0.1624 ( 3392 PWs) bands (ev): -20.6335 -20.6335 -18.8923 -18.8923 -18.8911 -18.8911 -17.9486 -17.9486 -17.8267 -17.8267 -5.7210 -5.7210 -5.0343 -5.0343 -4.5645 -4.5645 -4.2603 -4.2603 -1.3127 -1.3127 -0.6494 -0.6494 -0.6223 -0.6223 -0.6157 -0.6157 -0.3414 -0.3414 0.6519 0.6519 0.8972 0.8972 0.9162 0.9162 1.6622 1.6622 1.9248 1.9248 1.9378 1.9378 12.3935 12.3935 12.7264 12.7264 13.3414 13.3414 13.3469 13.3469 k = 0.5000 0.5000 0.1741 ( 3396 PWs) bands (ev): -20.6335 -20.6335 -18.8923 -18.8923 -18.8911 -18.8911 -17.9440 -17.9440 -17.8314 -17.8314 -5.7217 -5.7217 -5.0355 -5.0355 -4.5658 -4.5658 -4.2558 -4.2558 -1.3100 -1.3100 -0.6473 -0.6473 -0.6105 -0.6105 -0.6075 -0.6075 -0.3674 -0.3674 0.6744 0.6744 0.8799 0.8799 0.9012 0.9012 1.6623 1.6623 1.9307 1.9307 1.9429 1.9429 12.3880 12.3880 12.7037 12.7037 13.3240 13.3240 13.3291 13.3291 k = 0.5000 0.5000 0.1857 ( 3404 PWs) bands (ev): -20.6335 -20.6335 -18.8923 -18.8923 -18.8911 -18.8911 -17.9392 -17.9392 -17.8364 -17.8364 -5.7225 -5.7225 -5.0366 -5.0366 -4.5670 -4.5670 -4.2514 -4.2514 -1.3074 -1.3074 -0.6460 -0.6460 -0.5988 -0.5988 -0.5988 -0.5988 -0.3914 -0.3914 0.6951 0.6951 0.8633 0.8633 0.8867 0.8867 1.6623 1.6623 1.9363 1.9363 1.9476 1.9476 12.3828 12.3828 12.6821 12.6821 13.3076 13.3076 13.3125 13.3125 k = 0.5000 0.5000 0.1973 ( 3396 PWs) bands (ev): -20.6335 -20.6335 -18.8923 -18.8923 -18.8910 -18.8910 -17.9342 -17.9342 -17.8416 -17.8416 -5.7232 -5.7232 -5.0377 -5.0377 -4.5682 -4.5682 -4.2472 -4.2472 -1.3049 -1.3049 -0.6452 -0.6452 -0.5902 -0.5902 -0.5877 -0.5877 -0.4133 -0.4133 0.7138 0.7138 0.8475 0.8475 0.8730 0.8730 1.6623 1.6623 1.9414 1.9414 1.9520 1.9520 12.3779 12.3779 12.6620 12.6620 13.2926 13.2926 13.2972 13.2972 k = 0.5000 0.5000 0.2089 ( 3384 PWs) bands (ev): -20.6335 -20.6335 -18.8923 -18.8923 -18.8910 -18.8910 -17.9290 -17.9290 -17.8469 -17.8469 -5.7238 -5.7238 -5.0386 -5.0386 -4.5693 -4.5693 -4.2434 -4.2434 -1.3026 -1.3026 -0.6446 -0.6446 -0.5818 -0.5818 -0.5772 -0.5772 -0.4329 -0.4329 0.7305 0.7305 0.8329 0.8329 0.8603 0.8603 1.6623 1.6623 1.9460 1.9460 1.9559 1.9559 12.3734 12.3734 12.6436 12.6436 13.2790 13.2790 13.2834 13.2834 k = 0.5000 0.5000 0.2205 ( 3392 PWs) bands (ev): -20.6335 -20.6335 -18.8923 -18.8923 -18.8910 -18.8910 -17.9236 -17.9236 -17.8524 -17.8524 -5.7244 -5.7244 -5.0395 -5.0395 -4.5702 -4.5702 -4.2399 -4.2399 -1.3006 -1.3006 -0.6442 -0.6442 -0.5741 -0.5741 -0.5676 -0.5676 -0.4502 -0.4502 0.7450 0.7450 0.8196 0.8196 0.8489 0.8489 1.6623 1.6623 1.9501 1.9501 1.9595 1.9595 12.3694 12.3694 12.6272 12.6272 13.2670 13.2670 13.2712 13.2712 k = 0.5000 0.5000 0.2321 ( 3392 PWs) bands (ev): -20.6335 -20.6335 -18.8923 -18.8923 -18.8910 -18.8910 -17.9182 -17.9182 -17.8579 -17.8579 -5.7249 -5.7249 -5.0403 -5.0403 -4.5711 -4.5711 -4.2369 -4.2369 -1.2988 -1.2988 -0.6439 -0.6439 -0.5671 -0.5671 -0.5591 -0.5591 -0.4650 -0.4650 0.7574 0.7574 0.8079 0.8079 0.8388 0.8388 1.6624 1.6624 1.9536 1.9536 1.9625 1.9625 12.3658 12.3658 12.6129 12.6129 13.2566 13.2566 13.2607 13.2607 k = 0.5000 0.5000 0.2437 ( 3392 PWs) bands (ev): -20.6335 -20.6335 -18.8923 -18.8923 -18.8910 -18.8910 -17.9127 -17.9127 -17.8635 -17.8635 -5.7253 -5.7253 -5.0409 -5.0409 -4.5718 -4.5718 -4.2343 -4.2343 -1.2973 -1.2973 -0.6437 -0.6437 -0.5612 -0.5612 -0.5518 -0.5518 -0.4772 -0.4772 0.7676 0.7676 0.7981 0.7981 0.8302 0.8302 1.6624 1.6624 1.9566 1.9566 1.9650 1.9650 12.3628 12.3628 12.6010 12.6010 13.2480 13.2480 13.2520 13.2520 k = 0.5000 0.5000 0.2553 ( 3384 PWs) bands (ev): -20.6335 -20.6335 -18.8923 -18.8923 -18.8910 -18.8910 -17.9072 -17.9072 -17.8691 -17.8691 -5.7257 -5.7257 -5.0414 -5.0414 -4.5723 -4.5723 -4.2323 -4.2323 -1.2961 -1.2961 -0.6435 -0.6435 -0.5564 -0.5564 -0.5459 -0.5459 -0.4868 -0.4868 0.7755 0.7755 0.7903 0.7903 0.8234 0.8234 1.6624 1.6624 1.9589 1.9589 1.9670 1.9670 12.3605 12.3605 12.5916 12.5916 13.2413 13.2413 13.2451 13.2451 k = 0.5000 0.5000 0.2669 ( 3368 PWs) bands (ev): -20.6335 -20.6335 -18.8923 -18.8923 -18.8910 -18.8910 -17.9019 -17.9019 -17.8744 -17.8744 -5.7259 -5.7259 -5.0418 -5.0418 -4.5727 -4.5727 -4.2308 -4.2308 -1.2952 -1.2952 -0.6434 -0.6434 -0.5529 -0.5529 -0.5416 -0.5416 -0.4937 -0.4937 0.7807 0.7807 0.7851 0.7851 0.8185 0.8185 1.6624 1.6624 1.9606 1.9606 1.9685 1.9685 12.3588 12.3588 12.5848 12.5848 13.2364 13.2364 13.2402 13.2402 k = 0.5000 0.5000 0.2785 ( 3344 PWs) bands (ev): -20.6335 -20.6335 -18.8923 -18.8923 -18.8910 -18.8910 -17.8972 -17.8972 -17.8791 -17.8791 -5.7260 -5.7260 -5.0420 -5.0420 -4.5730 -4.5730 -4.2298 -4.2298 -1.2947 -1.2947 -0.6433 -0.6433 -0.5508 -0.5508 -0.5389 -0.5389 -0.4979 -0.4979 0.7803 0.7803 0.7855 0.7855 0.8155 0.8155 1.6624 1.6624 1.9616 1.9616 1.9693 1.9693 12.3577 12.3577 12.5807 12.5807 13.2335 13.2335 13.2373 13.2373 k = 0.5000 0.5000 0.2901 ( 3344 PWs) bands (ev): -20.6335 -20.6335 -18.8923 -18.8923 -18.8910 -18.8910 -17.8950 -17.8950 -17.8814 -17.8814 -5.7261 -5.7261 -5.0420 -5.0420 -4.5731 -4.5731 -4.2295 -4.2295 -1.2945 -1.2945 -0.6432 -0.6432 -0.5500 -0.5500 -0.5380 -0.5380 -0.4993 -0.4993 0.7793 0.7793 0.7865 0.7865 0.8145 0.8145 1.6624 1.6624 1.9619 1.9619 1.9696 1.9696 12.3574 12.3574 12.5793 12.5793 13.2325 13.2325 13.2363 13.2363 Writing output data file RbAlF4.save init_run : 0.22s CPU 0.35s WALL ( 1 calls) electrons : 100.35s CPU 102.54s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 100.33s CPU 102.53s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.06s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.05s WALL ( 378 calls) cegterg : 89.21s CPU 90.86s WALL ( 397 calls) Called by sum_band: Called by *egterg: h_psi : 43.52s CPU 44.83s WALL ( 7137 calls) s_psi : 3.15s CPU 3.22s WALL ( 7137 calls) g_psi : 0.16s CPU 0.17s WALL ( 6362 calls) cdiaghg : 37.68s CPU 38.39s WALL ( 6740 calls) cegterg:over : 3.88s CPU 4.05s WALL ( 6362 calls) cegterg:upda : 3.05s CPU 2.97s WALL ( 6362 calls) cegterg:last : 2.23s CPU 2.10s WALL ( 1153 calls) cdiaghg:chol : 2.19s CPU 2.06s WALL ( 6740 calls) cdiaghg:inve : 1.29s CPU 1.32s WALL ( 6740 calls) cdiaghg:para : 2.22s CPU 2.22s WALL ( 13480 calls) Called by h_psi: h_psi:vloc : 36.18s CPU 37.22s WALL ( 7137 calls) h_psi:vnl : 7.23s CPU 7.47s WALL ( 7137 calls) add_vuspsi : 3.52s CPU 3.74s WALL ( 7137 calls) General routines calbec : 3.70s CPU 3.71s WALL ( 7137 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 33.62s CPU 34.66s WALL ( 703556 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.19s WALL ( 756 calls) Parallel routines fft_scatter : 17.05s CPU 17.80s WALL ( 703579 calls) PWSCF : 1m55.55s CPU 2m12.20s WALL This run was terminated on: 19:25:41 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=