Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 18:35:31 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: ./AlClO.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 33 19 5 1847 799 129 Max 34 20 6 1858 829 140 Sum 1201 697 213 66651 29343 4927 bravais-lattice index = 14 lattice parameter (alat) = 6.8219 a.u. unit-cell volume = 676.4063 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.821911 celldm(2)= 1.002770 celldm(3)= 2.124654 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 1.002770 0.000000 ) a(3) = ( 0.000000 0.000000 2.124654 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.997238 -0.000000 ) b(3) = ( 0.000000 0.000000 0.470665 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca 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 1157 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 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 atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Cl 7.00 35.45300 Cl( 1.00) Al 3.00 26.98150 Al( 1.00) 8 Sym. Ops., with inversion, found ( 6 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5013850 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.5013850 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 5 inversion cryst. s( 5) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 6) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 6) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.5013850 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 7) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 7) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5013850 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) double point group D_2h (mmm) there are 10 classes and 2 irreducible representations the character table: E -E C2 C2' C2'' i -i s_v s_v' s_v'' -C2 -C2' -C2'' -s_v -s_v' -s_v' G_5+ 2.00 -2.00 0.00 0.00 0.00 2.00 -2.00 0.00 0.00 0.00 G_5- 2.00 -2.00 0.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] C2' -C2' 3 -3 180 deg rotation - cart. axis [0,1,0] C2'' -C2'' 4 -4 180 deg rotation - cart. axis [1,0,0] i 5 inversion -i -5 inversion E s_v -s_v 6 -6 inv. 180 deg rotation - cart. axis [0,0,1] s_v'-s_v' 7 -7 inv. 180 deg rotation - cart. axis [0,1,0] s_v''-s_v' 8 -8 inv. 180 deg rotation - cart. axis [1,0,0] Cartesian axes number of k points= 448 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022321 k( 2) = ( 0.0113636 -0.0000000 -0.0000000), wk = 0.0022321 k( 3) = ( 0.0227273 -0.0000000 -0.0000000), wk = 0.0022321 k( 4) = ( 0.0340909 -0.0000000 -0.0000000), wk = 0.0022321 k( 5) = ( 0.0454546 -0.0000000 -0.0000000), wk = 0.0022321 k( 6) = ( 0.0568182 -0.0000000 -0.0000000), wk = 0.0022321 k( 7) = ( 0.0681818 -0.0000000 -0.0000000), wk = 0.0022321 k( 8) = ( 0.0795455 -0.0000000 -0.0000000), wk = 0.0022321 k( 9) = ( 0.0909091 -0.0000000 -0.0000000), wk = 0.0022321 k( 10) = ( 0.1022727 -0.0000000 -0.0000000), wk = 0.0022321 k( 11) = ( 0.1136364 -0.0000000 -0.0000000), wk = 0.0022321 k( 12) = ( 0.1250000 -0.0000000 -0.0000000), wk = 0.0022321 k( 13) = ( 0.1363636 -0.0000000 -0.0000000), wk = 0.0022321 k( 14) = ( 0.1477273 -0.0000000 -0.0000000), wk = 0.0022321 k( 15) = ( 0.1590909 -0.0000000 -0.0000000), wk = 0.0022321 k( 16) = ( 0.1704546 -0.0000000 -0.0000000), wk = 0.0022321 k( 17) = ( 0.1818182 -0.0000000 -0.0000000), wk = 0.0022321 k( 18) = ( 0.1931818 -0.0000000 -0.0000000), wk = 0.0022321 k( 19) = ( 0.2045454 -0.0000000 -0.0000000), wk = 0.0022321 k( 20) = ( 0.2159091 -0.0000000 -0.0000000), wk = 0.0022321 k( 21) = ( 0.2272727 -0.0000000 -0.0000000), wk = 0.0022321 k( 22) = ( 0.2386364 -0.0000000 -0.0000000), wk = 0.0022321 k( 23) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0022321 k( 24) = ( 0.2613636 -0.0000000 -0.0000000), wk = 0.0022321 k( 25) = ( 0.2727273 -0.0000000 -0.0000000), wk = 0.0022321 k( 26) = ( 0.2840909 -0.0000000 -0.0000000), wk = 0.0022321 k( 27) = ( 0.2954545 -0.0000000 -0.0000000), wk = 0.0022321 k( 28) = ( 0.3068182 -0.0000000 -0.0000000), wk = 0.0022321 k( 29) = ( 0.3181818 -0.0000000 -0.0000000), wk = 0.0022321 k( 30) = ( 0.3295455 -0.0000000 -0.0000000), wk = 0.0022321 k( 31) = ( 0.3409091 -0.0000000 -0.0000000), wk = 0.0022321 k( 32) = ( 0.3522727 -0.0000000 -0.0000000), wk = 0.0022321 k( 33) = ( 0.3636364 -0.0000000 -0.0000000), wk = 0.0022321 k( 34) = ( 0.3750000 -0.0000000 -0.0000000), wk = 0.0022321 k( 35) = ( 0.3863636 -0.0000000 -0.0000000), wk = 0.0022321 k( 36) = ( 0.3977273 -0.0000000 -0.0000000), wk = 0.0022321 k( 37) = ( 0.4090909 -0.0000000 -0.0000000), wk = 0.0022321 k( 38) = ( 0.4204545 -0.0000000 -0.0000000), wk = 0.0022321 k( 39) = ( 0.4318182 -0.0000000 -0.0000000), wk = 0.0022321 k( 40) = ( 0.4431818 -0.0000000 -0.0000000), wk = 0.0022321 k( 41) = ( 0.4545455 -0.0000000 -0.0000000), wk = 0.0022321 k( 42) = ( 0.4659091 -0.0000000 -0.0000000), wk = 0.0022321 k( 43) = ( 0.4772727 -0.0000000 -0.0000000), wk = 0.0022321 k( 44) = ( 0.4886364 -0.0000000 -0.0000000), wk = 0.0022321 k( 45) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0022321 k( 46) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0022321 k( 47) = ( 0.5000000 0.0113322 -0.0000000), wk = 0.0022321 k( 48) = ( 0.5000000 0.0226645 -0.0000000), wk = 0.0022321 k( 49) = ( 0.5000000 0.0339967 -0.0000000), wk = 0.0022321 k( 50) = ( 0.5000000 0.0453290 -0.0000000), wk = 0.0022321 k( 51) = ( 0.5000000 0.0566612 -0.0000000), wk = 0.0022321 k( 52) = ( 0.5000000 0.0679935 -0.0000000), wk = 0.0022321 k( 53) = ( 0.5000000 0.0793257 -0.0000000), wk = 0.0022321 k( 54) = ( 0.5000000 0.0906580 -0.0000000), wk = 0.0022321 k( 55) = ( 0.5000000 0.1019902 -0.0000000), wk = 0.0022321 k( 56) = ( 0.5000000 0.1133224 -0.0000000), wk = 0.0022321 k( 57) = ( 0.5000000 0.1246547 -0.0000000), wk = 0.0022321 k( 58) = ( 0.5000000 0.1359869 -0.0000000), wk = 0.0022321 k( 59) = ( 0.5000000 0.1473192 -0.0000000), wk = 0.0022321 k( 60) = ( 0.5000000 0.1586514 -0.0000000), wk = 0.0022321 k( 61) = ( 0.5000000 0.1699837 -0.0000000), wk = 0.0022321 k( 62) = ( 0.5000000 0.1813159 -0.0000000), wk = 0.0022321 k( 63) = ( 0.5000000 0.1926482 -0.0000000), wk = 0.0022321 k( 64) = ( 0.5000000 0.2039804 -0.0000000), wk = 0.0022321 k( 65) = ( 0.5000000 0.2153127 -0.0000000), wk = 0.0022321 k( 66) = ( 0.5000000 0.2266449 -0.0000000), wk = 0.0022321 k( 67) = ( 0.5000000 0.2379771 -0.0000000), wk = 0.0022321 k( 68) = ( 0.5000000 0.2493094 -0.0000000), wk = 0.0022321 k( 69) = ( 0.5000000 0.2606416 -0.0000000), wk = 0.0022321 k( 70) = ( 0.5000000 0.2719739 -0.0000000), wk = 0.0022321 k( 71) = ( 0.5000000 0.2833061 -0.0000000), wk = 0.0022321 k( 72) = ( 0.5000000 0.2946384 -0.0000000), wk = 0.0022321 k( 73) = ( 0.5000000 0.3059706 -0.0000000), wk = 0.0022321 k( 74) = ( 0.5000000 0.3173029 -0.0000000), wk = 0.0022321 k( 75) = ( 0.5000000 0.3286351 -0.0000000), wk = 0.0022321 k( 76) = ( 0.5000000 0.3399674 -0.0000000), wk = 0.0022321 k( 77) = ( 0.5000000 0.3512996 -0.0000000), wk = 0.0022321 k( 78) = ( 0.5000000 0.3626318 -0.0000000), wk = 0.0022321 k( 79) = ( 0.5000000 0.3739641 -0.0000000), wk = 0.0022321 k( 80) = ( 0.5000000 0.3852963 -0.0000000), wk = 0.0022321 k( 81) = ( 0.5000000 0.3966286 -0.0000000), wk = 0.0022321 k( 82) = ( 0.5000000 0.4079608 -0.0000000), wk = 0.0022321 k( 83) = ( 0.5000000 0.4192931 -0.0000000), wk = 0.0022321 k( 84) = ( 0.5000000 0.4306253 -0.0000000), wk = 0.0022321 k( 85) = ( 0.5000000 0.4419576 -0.0000000), wk = 0.0022321 k( 86) = ( 0.5000000 0.4532898 -0.0000000), wk = 0.0022321 k( 87) = ( 0.5000000 0.4646220 -0.0000000), wk = 0.0022321 k( 88) = ( 0.5000000 0.4759543 -0.0000000), wk = 0.0022321 k( 89) = ( 0.5000000 0.4872865 -0.0000000), wk = 0.0022321 k( 90) = ( 0.5000000 0.4986188 -0.0000000), wk = 0.0022321 k( 91) = ( 0.5000000 0.4986188 -0.0000000), wk = 0.0022321 k( 92) = ( 0.4886364 0.4986188 -0.0000000), wk = 0.0022321 k( 93) = ( 0.4772727 0.4986188 -0.0000000), wk = 0.0022321 k( 94) = ( 0.4659091 0.4986188 -0.0000000), wk = 0.0022321 k( 95) = ( 0.4545455 0.4986188 -0.0000000), wk = 0.0022321 k( 96) = ( 0.4431818 0.4986188 -0.0000000), wk = 0.0022321 k( 97) = ( 0.4318182 0.4986188 -0.0000000), wk = 0.0022321 k( 98) = ( 0.4204545 0.4986188 -0.0000000), wk = 0.0022321 k( 99) = ( 0.4090909 0.4986188 -0.0000000), wk = 0.0022321 k( 100) = ( 0.3977273 0.4986188 -0.0000000), wk = 0.0022321 k( 101) = ( 0.3863636 0.4986188 -0.0000000), wk = 0.0022321 k( 102) = ( 0.3750000 0.4986188 -0.0000000), wk = 0.0022321 k( 103) = ( 0.3636364 0.4986188 -0.0000000), wk = 0.0022321 k( 104) = ( 0.3522727 0.4986188 -0.0000000), wk = 0.0022321 k( 105) = ( 0.3409091 0.4986188 -0.0000000), wk = 0.0022321 k( 106) = ( 0.3295455 0.4986188 -0.0000000), wk = 0.0022321 k( 107) = ( 0.3181818 0.4986188 -0.0000000), wk = 0.0022321 k( 108) = ( 0.3068182 0.4986188 -0.0000000), wk = 0.0022321 k( 109) = ( 0.2954545 0.4986188 -0.0000000), wk = 0.0022321 k( 110) = ( 0.2840909 0.4986188 -0.0000000), wk = 0.0022321 k( 111) = ( 0.2727273 0.4986188 -0.0000000), wk = 0.0022321 k( 112) = ( 0.2613636 0.4986188 -0.0000000), wk = 0.0022321 k( 113) = ( 0.2500000 0.4986188 -0.0000000), wk = 0.0022321 k( 114) = ( 0.2386364 0.4986188 -0.0000000), wk = 0.0022321 k( 115) = ( 0.2272727 0.4986188 -0.0000000), wk = 0.0022321 k( 116) = ( 0.2159091 0.4986188 -0.0000000), wk = 0.0022321 k( 117) = ( 0.2045454 0.4986188 -0.0000000), wk = 0.0022321 k( 118) = ( 0.1931818 0.4986188 -0.0000000), wk = 0.0022321 k( 119) = ( 0.1818182 0.4986188 -0.0000000), wk = 0.0022321 k( 120) = ( 0.1704546 0.4986188 -0.0000000), wk = 0.0022321 k( 121) = ( 0.1590909 0.4986188 -0.0000000), wk = 0.0022321 k( 122) = ( 0.1477273 0.4986188 -0.0000000), wk = 0.0022321 k( 123) = ( 0.1363636 0.4986188 -0.0000000), wk = 0.0022321 k( 124) = ( 0.1250000 0.4986188 -0.0000000), wk = 0.0022321 k( 125) = ( 0.1136364 0.4986188 -0.0000000), wk = 0.0022321 k( 126) = ( 0.1022727 0.4986188 -0.0000000), wk = 0.0022321 k( 127) = ( 0.0909091 0.4986188 -0.0000000), wk = 0.0022321 k( 128) = ( 0.0795455 0.4986188 -0.0000000), wk = 0.0022321 k( 129) = ( 0.0681818 0.4986188 -0.0000000), wk = 0.0022321 k( 130) = ( 0.0568182 0.4986188 -0.0000000), wk = 0.0022321 k( 131) = ( 0.0454546 0.4986188 -0.0000000), wk = 0.0022321 k( 132) = ( 0.0340909 0.4986188 -0.0000000), wk = 0.0022321 k( 133) = ( 0.0227273 0.4986188 -0.0000000), wk = 0.0022321 k( 134) = ( 0.0113636 0.4986188 -0.0000000), wk = 0.0022321 k( 135) = ( 0.0000000 0.4986188 -0.0000000), wk = 0.0022321 k( 136) = ( 0.0000000 0.4986188 -0.0000000), wk = 0.0022321 k( 137) = ( 0.0000000 0.4872865 -0.0000000), wk = 0.0022321 k( 138) = ( 0.0000000 0.4759543 -0.0000000), wk = 0.0022321 k( 139) = ( 0.0000000 0.4646220 -0.0000000), wk = 0.0022321 k( 140) = ( 0.0000000 0.4532898 -0.0000000), wk = 0.0022321 k( 141) = ( 0.0000000 0.4419576 -0.0000000), wk = 0.0022321 k( 142) = ( 0.0000000 0.4306253 -0.0000000), wk = 0.0022321 k( 143) = ( 0.0000000 0.4192931 -0.0000000), wk = 0.0022321 k( 144) = ( 0.0000000 0.4079608 -0.0000000), wk = 0.0022321 k( 145) = ( 0.0000000 0.3966286 -0.0000000), wk = 0.0022321 k( 146) = ( 0.0000000 0.3852963 -0.0000000), wk = 0.0022321 k( 147) = ( 0.0000000 0.3739641 -0.0000000), wk = 0.0022321 k( 148) = ( 0.0000000 0.3626318 -0.0000000), wk = 0.0022321 k( 149) = ( 0.0000000 0.3512996 -0.0000000), wk = 0.0022321 k( 150) = ( 0.0000000 0.3399674 -0.0000000), wk = 0.0022321 k( 151) = ( 0.0000000 0.3286351 -0.0000000), wk = 0.0022321 k( 152) = ( 0.0000000 0.3173029 -0.0000000), wk = 0.0022321 k( 153) = ( 0.0000000 0.3059706 -0.0000000), wk = 0.0022321 k( 154) = ( 0.0000000 0.2946384 -0.0000000), wk = 0.0022321 k( 155) = ( 0.0000000 0.2833061 -0.0000000), wk = 0.0022321 k( 156) = ( 0.0000000 0.2719739 -0.0000000), wk = 0.0022321 k( 157) = ( 0.0000000 0.2606416 -0.0000000), wk = 0.0022321 k( 158) = ( 0.0000000 0.2493094 -0.0000000), wk = 0.0022321 k( 159) = ( 0.0000000 0.2379771 -0.0000000), wk = 0.0022321 k( 160) = ( 0.0000000 0.2266449 -0.0000000), wk = 0.0022321 k( 161) = ( 0.0000000 0.2153127 -0.0000000), wk = 0.0022321 k( 162) = ( 0.0000000 0.2039804 -0.0000000), wk = 0.0022321 k( 163) = ( 0.0000000 0.1926482 -0.0000000), wk = 0.0022321 k( 164) = ( 0.0000000 0.1813159 -0.0000000), wk = 0.0022321 k( 165) = ( 0.0000000 0.1699837 -0.0000000), wk = 0.0022321 k( 166) = ( 0.0000000 0.1586514 -0.0000000), wk = 0.0022321 k( 167) = ( 0.0000000 0.1473192 -0.0000000), wk = 0.0022321 k( 168) = ( 0.0000000 0.1359869 -0.0000000), wk = 0.0022321 k( 169) = ( 0.0000000 0.1246547 -0.0000000), wk = 0.0022321 k( 170) = ( 0.0000000 0.1133224 -0.0000000), wk = 0.0022321 k( 171) = ( 0.0000000 0.1019902 -0.0000000), wk = 0.0022321 k( 172) = ( 0.0000000 0.0906580 -0.0000000), wk = 0.0022321 k( 173) = ( 0.0000000 0.0793257 -0.0000000), wk = 0.0022321 k( 174) = ( 0.0000000 0.0679935 -0.0000000), wk = 0.0022321 k( 175) = ( 0.0000000 0.0566612 -0.0000000), wk = 0.0022321 k( 176) = ( 0.0000000 0.0453290 -0.0000000), wk = 0.0022321 k( 177) = ( 0.0000000 0.0339967 -0.0000000), wk = 0.0022321 k( 178) = ( 0.0000000 0.0226645 -0.0000000), wk = 0.0022321 k( 179) = ( 0.0000000 0.0113322 -0.0000000), wk = 0.0022321 k( 180) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022321 k( 181) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022321 k( 182) = ( 0.0000000 0.0000000 0.0112063), wk = 0.0022321 k( 183) = ( 0.0000000 0.0000000 0.0224126), wk = 0.0022321 k( 184) = ( 0.0000000 0.0000000 0.0336189), wk = 0.0022321 k( 185) = ( 0.0000000 0.0000000 0.0448252), wk = 0.0022321 k( 186) = ( 0.0000000 0.0000000 0.0560315), wk = 0.0022321 k( 187) = ( 0.0000000 0.0000000 0.0672378), wk = 0.0022321 k( 188) = ( 0.0000000 0.0000000 0.0784442), wk = 0.0022321 k( 189) = ( 0.0000000 0.0000000 0.0896505), wk = 0.0022321 k( 190) = ( 0.0000000 0.0000000 0.1008568), wk = 0.0022321 k( 191) = ( 0.0000000 0.0000000 0.1120631), wk = 0.0022321 k( 192) = ( 0.0000000 0.0000000 0.1232694), wk = 0.0022321 k( 193) = ( 0.0000000 0.0000000 0.1344757), wk = 0.0022321 k( 194) = ( 0.0000000 0.0000000 0.1456820), wk = 0.0022321 k( 195) = ( 0.0000000 0.0000000 0.1568883), wk = 0.0022321 k( 196) = ( 0.0000000 0.0000000 0.1680946), wk = 0.0022321 k( 197) = ( 0.0000000 0.0000000 0.1793009), wk = 0.0022321 k( 198) = ( 0.0000000 0.0000000 0.1905072), wk = 0.0022321 k( 199) = ( 0.0000000 0.0000000 0.2017135), wk = 0.0022321 k( 200) = ( 0.0000000 0.0000000 0.2129198), wk = 0.0022321 k( 201) = ( 0.0000000 0.0000000 0.2241262), wk = 0.0022321 k( 202) = ( 0.0000000 0.0000000 0.2353325), wk = 0.0022321 k( 203) = ( 0.0000000 0.0000000 0.2353325), wk = 0.0022321 k( 204) = ( 0.0113636 -0.0000000 0.2353325), wk = 0.0022321 k( 205) = ( 0.0227273 -0.0000000 0.2353325), wk = 0.0022321 k( 206) = ( 0.0340909 -0.0000000 0.2353325), wk = 0.0022321 k( 207) = ( 0.0454546 -0.0000000 0.2353325), wk = 0.0022321 k( 208) = ( 0.0568182 -0.0000000 0.2353325), wk = 0.0022321 k( 209) = ( 0.0681818 -0.0000000 0.2353325), wk = 0.0022321 k( 210) = ( 0.0795455 -0.0000000 0.2353325), wk = 0.0022321 k( 211) = ( 0.0909091 -0.0000000 0.2353325), wk = 0.0022321 k( 212) = ( 0.1022727 -0.0000000 0.2353325), wk = 0.0022321 k( 213) = ( 0.1136364 -0.0000000 0.2353325), wk = 0.0022321 k( 214) = ( 0.1250000 -0.0000000 0.2353325), wk = 0.0022321 k( 215) = ( 0.1363636 -0.0000000 0.2353325), wk = 0.0022321 k( 216) = ( 0.1477273 -0.0000000 0.2353325), wk = 0.0022321 k( 217) = ( 0.1590909 -0.0000000 0.2353325), wk = 0.0022321 k( 218) = ( 0.1704546 -0.0000000 0.2353325), wk = 0.0022321 k( 219) = ( 0.1818182 -0.0000000 0.2353325), wk = 0.0022321 k( 220) = ( 0.1931818 -0.0000000 0.2353325), wk = 0.0022321 k( 221) = ( 0.2045454 -0.0000000 0.2353325), wk = 0.0022321 k( 222) = ( 0.2159091 -0.0000000 0.2353325), wk = 0.0022321 k( 223) = ( 0.2272727 -0.0000000 0.2353325), wk = 0.0022321 k( 224) = ( 0.2386364 -0.0000000 0.2353325), wk = 0.0022321 k( 225) = ( 0.2500000 -0.0000000 0.2353325), wk = 0.0022321 k( 226) = ( 0.2613636 -0.0000000 0.2353325), wk = 0.0022321 k( 227) = ( 0.2727273 -0.0000000 0.2353325), wk = 0.0022321 k( 228) = ( 0.2840909 -0.0000000 0.2353325), wk = 0.0022321 k( 229) = ( 0.2954545 -0.0000000 0.2353325), wk = 0.0022321 k( 230) = ( 0.3068182 -0.0000000 0.2353325), wk = 0.0022321 k( 231) = ( 0.3181818 -0.0000000 0.2353325), wk = 0.0022321 k( 232) = ( 0.3295455 -0.0000000 0.2353325), wk = 0.0022321 k( 233) = ( 0.3409091 -0.0000000 0.2353325), wk = 0.0022321 k( 234) = ( 0.3522727 -0.0000000 0.2353325), wk = 0.0022321 k( 235) = ( 0.3636364 -0.0000000 0.2353325), wk = 0.0022321 k( 236) = ( 0.3750000 -0.0000000 0.2353325), wk = 0.0022321 k( 237) = ( 0.3863636 -0.0000000 0.2353325), wk = 0.0022321 k( 238) = ( 0.3977273 -0.0000000 0.2353325), wk = 0.0022321 k( 239) = ( 0.4090909 -0.0000000 0.2353325), wk = 0.0022321 k( 240) = ( 0.4204545 -0.0000000 0.2353325), wk = 0.0022321 k( 241) = ( 0.4318182 -0.0000000 0.2353325), wk = 0.0022321 k( 242) = ( 0.4431818 -0.0000000 0.2353325), wk = 0.0022321 k( 243) = ( 0.4545455 -0.0000000 0.2353325), wk = 0.0022321 k( 244) = ( 0.4659091 -0.0000000 0.2353325), wk = 0.0022321 k( 245) = ( 0.4772727 -0.0000000 0.2353325), wk = 0.0022321 k( 246) = ( 0.4886364 -0.0000000 0.2353325), wk = 0.0022321 k( 247) = ( 0.5000000 -0.0000000 0.2353325), wk = 0.0022321 k( 248) = ( 0.5000000 -0.0000000 0.2353325), wk = 0.0022321 k( 249) = ( 0.5000000 0.0113322 0.2353325), wk = 0.0022321 k( 250) = ( 0.5000000 0.0226645 0.2353325), wk = 0.0022321 k( 251) = ( 0.5000000 0.0339967 0.2353325), wk = 0.0022321 k( 252) = ( 0.5000000 0.0453290 0.2353325), wk = 0.0022321 k( 253) = ( 0.5000000 0.0566612 0.2353325), wk = 0.0022321 k( 254) = ( 0.5000000 0.0679935 0.2353325), wk = 0.0022321 k( 255) = ( 0.5000000 0.0793257 0.2353325), wk = 0.0022321 k( 256) = ( 0.5000000 0.0906580 0.2353325), wk = 0.0022321 k( 257) = ( 0.5000000 0.1019902 0.2353325), wk = 0.0022321 k( 258) = ( 0.5000000 0.1133224 0.2353325), wk = 0.0022321 k( 259) = ( 0.5000000 0.1246547 0.2353325), wk = 0.0022321 k( 260) = ( 0.5000000 0.1359869 0.2353325), wk = 0.0022321 k( 261) = ( 0.5000000 0.1473192 0.2353325), wk = 0.0022321 k( 262) = ( 0.5000000 0.1586514 0.2353325), wk = 0.0022321 k( 263) = ( 0.5000000 0.1699837 0.2353325), wk = 0.0022321 k( 264) = ( 0.5000000 0.1813159 0.2353325), wk = 0.0022321 k( 265) = ( 0.5000000 0.1926482 0.2353325), wk = 0.0022321 k( 266) = ( 0.5000000 0.2039804 0.2353325), wk = 0.0022321 k( 267) = ( 0.5000000 0.2153127 0.2353325), wk = 0.0022321 k( 268) = ( 0.5000000 0.2266449 0.2353325), wk = 0.0022321 k( 269) = ( 0.5000000 0.2379771 0.2353325), wk = 0.0022321 k( 270) = ( 0.5000000 0.2493094 0.2353325), wk = 0.0022321 k( 271) = ( 0.5000000 0.2606416 0.2353325), wk = 0.0022321 k( 272) = ( 0.5000000 0.2719739 0.2353325), wk = 0.0022321 k( 273) = ( 0.5000000 0.2833061 0.2353325), wk = 0.0022321 k( 274) = ( 0.5000000 0.2946384 0.2353325), wk = 0.0022321 k( 275) = ( 0.5000000 0.3059706 0.2353325), wk = 0.0022321 k( 276) = ( 0.5000000 0.3173029 0.2353325), wk = 0.0022321 k( 277) = ( 0.5000000 0.3286351 0.2353325), wk = 0.0022321 k( 278) = ( 0.5000000 0.3399674 0.2353325), wk = 0.0022321 k( 279) = ( 0.5000000 0.3512996 0.2353325), wk = 0.0022321 k( 280) = ( 0.5000000 0.3626318 0.2353325), wk = 0.0022321 k( 281) = ( 0.5000000 0.3739641 0.2353325), wk = 0.0022321 k( 282) = ( 0.5000000 0.3852963 0.2353325), wk = 0.0022321 k( 283) = ( 0.5000000 0.3966286 0.2353325), wk = 0.0022321 k( 284) = ( 0.5000000 0.4079608 0.2353325), wk = 0.0022321 k( 285) = ( 0.5000000 0.4192931 0.2353325), wk = 0.0022321 k( 286) = ( 0.5000000 0.4306253 0.2353325), wk = 0.0022321 k( 287) = ( 0.5000000 0.4419576 0.2353325), wk = 0.0022321 k( 288) = ( 0.5000000 0.4532898 0.2353325), wk = 0.0022321 k( 289) = ( 0.5000000 0.4646220 0.2353325), wk = 0.0022321 k( 290) = ( 0.5000000 0.4759543 0.2353325), wk = 0.0022321 k( 291) = ( 0.5000000 0.4872865 0.2353325), wk = 0.0022321 k( 292) = ( 0.5000000 0.4986188 0.2353325), wk = 0.0022321 k( 293) = ( 0.5000000 0.4986188 0.2353325), wk = 0.0022321 k( 294) = ( 0.4886364 0.4986188 0.2353325), wk = 0.0022321 k( 295) = ( 0.4772727 0.4986188 0.2353325), wk = 0.0022321 k( 296) = ( 0.4659091 0.4986188 0.2353325), wk = 0.0022321 k( 297) = ( 0.4545455 0.4986188 0.2353325), wk = 0.0022321 k( 298) = ( 0.4431818 0.4986188 0.2353325), wk = 0.0022321 k( 299) = ( 0.4318182 0.4986188 0.2353325), wk = 0.0022321 k( 300) = ( 0.4204545 0.4986188 0.2353325), wk = 0.0022321 k( 301) = ( 0.4090909 0.4986188 0.2353325), wk = 0.0022321 k( 302) = ( 0.3977273 0.4986188 0.2353325), wk = 0.0022321 k( 303) = ( 0.3863636 0.4986188 0.2353325), wk = 0.0022321 k( 304) = ( 0.3750000 0.4986188 0.2353325), wk = 0.0022321 k( 305) = ( 0.3636364 0.4986188 0.2353325), wk = 0.0022321 k( 306) = ( 0.3522727 0.4986188 0.2353325), wk = 0.0022321 k( 307) = ( 0.3409091 0.4986188 0.2353325), wk = 0.0022321 k( 308) = ( 0.3295455 0.4986188 0.2353325), wk = 0.0022321 k( 309) = ( 0.3181818 0.4986188 0.2353325), wk = 0.0022321 k( 310) = ( 0.3068182 0.4986188 0.2353325), wk = 0.0022321 k( 311) = ( 0.2954545 0.4986188 0.2353325), wk = 0.0022321 k( 312) = ( 0.2840909 0.4986188 0.2353325), wk = 0.0022321 k( 313) = ( 0.2727273 0.4986188 0.2353325), wk = 0.0022321 k( 314) = ( 0.2613636 0.4986188 0.2353325), wk = 0.0022321 k( 315) = ( 0.2500000 0.4986188 0.2353325), wk = 0.0022321 k( 316) = ( 0.2386364 0.4986188 0.2353325), wk = 0.0022321 k( 317) = ( 0.2272727 0.4986188 0.2353325), wk = 0.0022321 k( 318) = ( 0.2159091 0.4986188 0.2353325), wk = 0.0022321 k( 319) = ( 0.2045454 0.4986188 0.2353325), wk = 0.0022321 k( 320) = ( 0.1931818 0.4986188 0.2353325), wk = 0.0022321 k( 321) = ( 0.1818182 0.4986188 0.2353325), wk = 0.0022321 k( 322) = ( 0.1704546 0.4986188 0.2353325), wk = 0.0022321 k( 323) = ( 0.1590909 0.4986188 0.2353325), wk = 0.0022321 k( 324) = ( 0.1477273 0.4986188 0.2353325), wk = 0.0022321 k( 325) = ( 0.1363636 0.4986188 0.2353325), wk = 0.0022321 k( 326) = ( 0.1250000 0.4986188 0.2353325), wk = 0.0022321 k( 327) = ( 0.1136364 0.4986188 0.2353325), wk = 0.0022321 k( 328) = ( 0.1022727 0.4986188 0.2353325), wk = 0.0022321 k( 329) = ( 0.0909091 0.4986188 0.2353325), wk = 0.0022321 k( 330) = ( 0.0795455 0.4986188 0.2353325), wk = 0.0022321 k( 331) = ( 0.0681818 0.4986188 0.2353325), wk = 0.0022321 k( 332) = ( 0.0568182 0.4986188 0.2353325), wk = 0.0022321 k( 333) = ( 0.0454546 0.4986188 0.2353325), wk = 0.0022321 k( 334) = ( 0.0340909 0.4986188 0.2353325), wk = 0.0022321 k( 335) = ( 0.0227273 0.4986188 0.2353325), wk = 0.0022321 k( 336) = ( 0.0113636 0.4986188 0.2353325), wk = 0.0022321 k( 337) = ( 0.0000000 0.4986188 0.2353325), wk = 0.0022321 k( 338) = ( 0.0000000 0.4986188 0.2353325), wk = 0.0022321 k( 339) = ( 0.0000000 0.4872865 0.2353325), wk = 0.0022321 k( 340) = ( 0.0000000 0.4759543 0.2353325), wk = 0.0022321 k( 341) = ( 0.0000000 0.4646220 0.2353325), wk = 0.0022321 k( 342) = ( 0.0000000 0.4532898 0.2353325), wk = 0.0022321 k( 343) = ( 0.0000000 0.4419576 0.2353325), wk = 0.0022321 k( 344) = ( 0.0000000 0.4306253 0.2353325), wk = 0.0022321 k( 345) = ( 0.0000000 0.4192931 0.2353325), wk = 0.0022321 k( 346) = ( 0.0000000 0.4079608 0.2353325), wk = 0.0022321 k( 347) = ( 0.0000000 0.3966286 0.2353325), wk = 0.0022321 k( 348) = ( 0.0000000 0.3852963 0.2353325), wk = 0.0022321 k( 349) = ( 0.0000000 0.3739641 0.2353325), wk = 0.0022321 k( 350) = ( 0.0000000 0.3626318 0.2353325), wk = 0.0022321 k( 351) = ( 0.0000000 0.3512996 0.2353325), wk = 0.0022321 k( 352) = ( 0.0000000 0.3399674 0.2353325), wk = 0.0022321 k( 353) = ( 0.0000000 0.3286351 0.2353325), wk = 0.0022321 k( 354) = ( 0.0000000 0.3173029 0.2353325), wk = 0.0022321 k( 355) = ( 0.0000000 0.3059706 0.2353325), wk = 0.0022321 k( 356) = ( 0.0000000 0.2946384 0.2353325), wk = 0.0022321 k( 357) = ( 0.0000000 0.2833061 0.2353325), wk = 0.0022321 k( 358) = ( 0.0000000 0.2719739 0.2353325), wk = 0.0022321 k( 359) = ( 0.0000000 0.2606416 0.2353325), wk = 0.0022321 k( 360) = ( 0.0000000 0.2493094 0.2353325), wk = 0.0022321 k( 361) = ( 0.0000000 0.2379771 0.2353325), wk = 0.0022321 k( 362) = ( 0.0000000 0.2266449 0.2353325), wk = 0.0022321 k( 363) = ( 0.0000000 0.2153127 0.2353325), wk = 0.0022321 k( 364) = ( 0.0000000 0.2039804 0.2353325), wk = 0.0022321 k( 365) = ( 0.0000000 0.1926482 0.2353325), wk = 0.0022321 k( 366) = ( 0.0000000 0.1813159 0.2353325), wk = 0.0022321 k( 367) = ( 0.0000000 0.1699837 0.2353325), wk = 0.0022321 k( 368) = ( 0.0000000 0.1586514 0.2353325), wk = 0.0022321 k( 369) = ( 0.0000000 0.1473192 0.2353325), wk = 0.0022321 k( 370) = ( 0.0000000 0.1359869 0.2353325), wk = 0.0022321 k( 371) = ( 0.0000000 0.1246547 0.2353325), wk = 0.0022321 k( 372) = ( 0.0000000 0.1133224 0.2353325), wk = 0.0022321 k( 373) = ( 0.0000000 0.1019902 0.2353325), wk = 0.0022321 k( 374) = ( 0.0000000 0.0906580 0.2353325), wk = 0.0022321 k( 375) = ( 0.0000000 0.0793257 0.2353325), wk = 0.0022321 k( 376) = ( 0.0000000 0.0679935 0.2353325), wk = 0.0022321 k( 377) = ( 0.0000000 0.0566612 0.2353325), wk = 0.0022321 k( 378) = ( 0.0000000 0.0453290 0.2353325), wk = 0.0022321 k( 379) = ( 0.0000000 0.0339967 0.2353325), wk = 0.0022321 k( 380) = ( 0.0000000 0.0226645 0.2353325), wk = 0.0022321 k( 381) = ( 0.0000000 0.0113322 0.2353325), wk = 0.0022321 k( 382) = ( 0.0000000 0.0000000 0.2353325), wk = 0.0022321 k( 383) = ( 0.0000000 0.4986188 -0.0000000), wk = 0.0022321 k( 384) = ( 0.0000000 0.4986188 0.0112063), wk = 0.0022321 k( 385) = ( 0.0000000 0.4986188 0.0224126), wk = 0.0022321 k( 386) = ( 0.0000000 0.4986188 0.0336189), wk = 0.0022321 k( 387) = ( 0.0000000 0.4986188 0.0448252), wk = 0.0022321 k( 388) = ( 0.0000000 0.4986188 0.0560315), wk = 0.0022321 k( 389) = ( 0.0000000 0.4986188 0.0672378), wk = 0.0022321 k( 390) = ( 0.0000000 0.4986188 0.0784442), wk = 0.0022321 k( 391) = ( 0.0000000 0.4986188 0.0896505), wk = 0.0022321 k( 392) = ( 0.0000000 0.4986188 0.1008568), wk = 0.0022321 k( 393) = ( 0.0000000 0.4986188 0.1120631), wk = 0.0022321 k( 394) = ( 0.0000000 0.4986188 0.1232694), wk = 0.0022321 k( 395) = ( 0.0000000 0.4986188 0.1344757), wk = 0.0022321 k( 396) = ( 0.0000000 0.4986188 0.1456820), wk = 0.0022321 k( 397) = ( 0.0000000 0.4986188 0.1568883), wk = 0.0022321 k( 398) = ( 0.0000000 0.4986188 0.1680946), wk = 0.0022321 k( 399) = ( 0.0000000 0.4986188 0.1793009), wk = 0.0022321 k( 400) = ( 0.0000000 0.4986188 0.1905072), wk = 0.0022321 k( 401) = ( 0.0000000 0.4986188 0.2017135), wk = 0.0022321 k( 402) = ( 0.0000000 0.4986188 0.2129198), wk = 0.0022321 k( 403) = ( 0.0000000 0.4986188 0.2241262), wk = 0.0022321 k( 404) = ( 0.0000000 0.4986188 0.2353325), wk = 0.0022321 k( 405) = ( 0.5000000 -0.0000000 0.2353325), wk = 0.0022321 k( 406) = ( 0.5000000 -0.0000000 0.2241262), wk = 0.0022321 k( 407) = ( 0.5000000 -0.0000000 0.2129198), wk = 0.0022321 k( 408) = ( 0.5000000 -0.0000000 0.2017135), wk = 0.0022321 k( 409) = ( 0.5000000 -0.0000000 0.1905072), wk = 0.0022321 k( 410) = ( 0.5000000 -0.0000000 0.1793009), wk = 0.0022321 k( 411) = ( 0.5000000 -0.0000000 0.1680946), wk = 0.0022321 k( 412) = ( 0.5000000 -0.0000000 0.1568883), wk = 0.0022321 k( 413) = ( 0.5000000 -0.0000000 0.1456820), wk = 0.0022321 k( 414) = ( 0.5000000 -0.0000000 0.1344757), wk = 0.0022321 k( 415) = ( 0.5000000 -0.0000000 0.1232694), wk = 0.0022321 k( 416) = ( 0.5000000 -0.0000000 0.1120631), wk = 0.0022321 k( 417) = ( 0.5000000 -0.0000000 0.1008568), wk = 0.0022321 k( 418) = ( 0.5000000 -0.0000000 0.0896505), wk = 0.0022321 k( 419) = ( 0.5000000 -0.0000000 0.0784442), wk = 0.0022321 k( 420) = ( 0.5000000 -0.0000000 0.0672378), wk = 0.0022321 k( 421) = ( 0.5000000 -0.0000000 0.0560315), wk = 0.0022321 k( 422) = ( 0.5000000 -0.0000000 0.0448252), wk = 0.0022321 k( 423) = ( 0.5000000 -0.0000000 0.0336189), wk = 0.0022321 k( 424) = ( 0.5000000 -0.0000000 0.0224126), wk = 0.0022321 k( 425) = ( 0.5000000 -0.0000000 0.0112063), wk = 0.0022321 k( 426) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0022321 k( 427) = ( 0.5000000 0.4986188 -0.0000000), wk = 0.0022321 k( 428) = ( 0.5000000 0.4986188 0.0112063), wk = 0.0022321 k( 429) = ( 0.5000000 0.4986188 0.0224126), wk = 0.0022321 k( 430) = ( 0.5000000 0.4986188 0.0336189), wk = 0.0022321 k( 431) = ( 0.5000000 0.4986188 0.0448252), wk = 0.0022321 k( 432) = ( 0.5000000 0.4986188 0.0560315), wk = 0.0022321 k( 433) = ( 0.5000000 0.4986188 0.0672378), wk = 0.0022321 k( 434) = ( 0.5000000 0.4986188 0.0784442), wk = 0.0022321 k( 435) = ( 0.5000000 0.4986188 0.0896505), wk = 0.0022321 k( 436) = ( 0.5000000 0.4986188 0.1008568), wk = 0.0022321 k( 437) = ( 0.5000000 0.4986188 0.1120631), wk = 0.0022321 k( 438) = ( 0.5000000 0.4986188 0.1232694), wk = 0.0022321 k( 439) = ( 0.5000000 0.4986188 0.1344757), wk = 0.0022321 k( 440) = ( 0.5000000 0.4986188 0.1456820), wk = 0.0022321 k( 441) = ( 0.5000000 0.4986188 0.1568883), wk = 0.0022321 k( 442) = ( 0.5000000 0.4986188 0.1680946), wk = 0.0022321 k( 443) = ( 0.5000000 0.4986188 0.1793009), wk = 0.0022321 k( 444) = ( 0.5000000 0.4986188 0.1905072), wk = 0.0022321 k( 445) = ( 0.5000000 0.4986188 0.2017135), wk = 0.0022321 k( 446) = ( 0.5000000 0.4986188 0.2129198), wk = 0.0022321 k( 447) = ( 0.5000000 0.4986188 0.2241262), wk = 0.0022321 k( 448) = ( 0.5000000 0.4986188 0.2353325), wk = 0.0022321 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022321 k( 2) = ( 0.0113636 -0.0000000 0.0000000), wk = 0.0022321 k( 3) = ( 0.0227273 0.0000000 -0.0000000), wk = 0.0022321 k( 4) = ( 0.0340909 0.0000000 0.0000000), wk = 0.0022321 k( 5) = ( 0.0454546 -0.0000000 -0.0000000), wk = 0.0022321 k( 6) = ( 0.0568182 -0.0000000 -0.0000000), wk = 0.0022321 k( 7) = ( 0.0681818 0.0000000 0.0000000), wk = 0.0022321 k( 8) = ( 0.0795455 -0.0000000 -0.0000000), wk = 0.0022321 k( 9) = ( 0.0909091 -0.0000000 -0.0000000), wk = 0.0022321 k( 10) = ( 0.1022727 0.0000000 -0.0000000), wk = 0.0022321 k( 11) = ( 0.1136364 -0.0000000 -0.0000000), wk = 0.0022321 k( 12) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0022321 k( 13) = ( 0.1363636 0.0000000 0.0000000), wk = 0.0022321 k( 14) = ( 0.1477273 0.0000000 0.0000000), wk = 0.0022321 k( 15) = ( 0.1590909 0.0000000 -0.0000000), wk = 0.0022321 k( 16) = ( 0.1704546 -0.0000000 -0.0000000), wk = 0.0022321 k( 17) = ( 0.1818182 -0.0000000 -0.0000000), wk = 0.0022321 k( 18) = ( 0.1931818 -0.0000000 0.0000000), wk = 0.0022321 k( 19) = ( 0.2045454 -0.0000000 -0.0000000), wk = 0.0022321 k( 20) = ( 0.2159091 -0.0000000 0.0000000), wk = 0.0022321 k( 21) = ( 0.2272727 0.0000000 0.0000000), wk = 0.0022321 k( 22) = ( 0.2386364 0.0000000 -0.0000000), wk = 0.0022321 k( 23) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0022321 k( 24) = ( 0.2613636 -0.0000000 -0.0000000), wk = 0.0022321 k( 25) = ( 0.2727273 -0.0000000 -0.0000000), wk = 0.0022321 k( 26) = ( 0.2840909 0.0000000 -0.0000000), wk = 0.0022321 k( 27) = ( 0.2954545 0.0000000 -0.0000000), wk = 0.0022321 k( 28) = ( 0.3068182 -0.0000000 0.0000000), wk = 0.0022321 k( 29) = ( 0.3181818 0.0000000 -0.0000000), wk = 0.0022321 k( 30) = ( 0.3295455 -0.0000000 0.0000000), wk = 0.0022321 k( 31) = ( 0.3409091 -0.0000000 -0.0000000), wk = 0.0022321 k( 32) = ( 0.3522727 0.0000000 0.0000000), wk = 0.0022321 k( 33) = ( 0.3636364 -0.0000000 -0.0000000), wk = 0.0022321 k( 34) = ( 0.3750000 0.0000000 -0.0000000), wk = 0.0022321 k( 35) = ( 0.3863636 -0.0000000 0.0000000), wk = 0.0022321 k( 36) = ( 0.3977273 -0.0000000 -0.0000000), wk = 0.0022321 k( 37) = ( 0.4090909 -0.0000000 -0.0000000), wk = 0.0022321 k( 38) = ( 0.4204545 0.0000000 -0.0000000), wk = 0.0022321 k( 39) = ( 0.4318182 -0.0000000 0.0000000), wk = 0.0022321 k( 40) = ( 0.4431818 0.0000000 -0.0000000), wk = 0.0022321 k( 41) = ( 0.4545455 0.0000000 0.0000000), wk = 0.0022321 k( 42) = ( 0.4659091 -0.0000000 -0.0000000), wk = 0.0022321 k( 43) = ( 0.4772727 0.0000000 -0.0000000), wk = 0.0022321 k( 44) = ( 0.4886364 -0.0000000 -0.0000000), wk = 0.0022321 k( 45) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0022321 k( 46) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0022321 k( 47) = ( 0.5000000 0.0113636 0.0000000), wk = 0.0022321 k( 48) = ( 0.5000000 0.0227273 -0.0000000), wk = 0.0022321 k( 49) = ( 0.5000000 0.0340909 0.0000000), wk = 0.0022321 k( 50) = ( 0.5000000 0.0454546 0.0000000), wk = 0.0022321 k( 51) = ( 0.5000000 0.0568182 0.0000000), wk = 0.0022321 k( 52) = ( 0.5000000 0.0681818 -0.0000000), wk = 0.0022321 k( 53) = ( 0.5000000 0.0795455 0.0000000), wk = 0.0022321 k( 54) = ( 0.5000000 0.0909091 0.0000000), wk = 0.0022321 k( 55) = ( 0.5000000 0.1022727 -0.0000000), wk = 0.0022321 k( 56) = ( 0.5000000 0.1136364 0.0000000), wk = 0.0022321 k( 57) = ( 0.5000000 0.1250000 -0.0000000), wk = 0.0022321 k( 58) = ( 0.5000000 0.1363636 -0.0000000), wk = 0.0022321 k( 59) = ( 0.5000000 0.1477273 -0.0000000), wk = 0.0022321 k( 60) = ( 0.5000000 0.1590909 0.0000000), wk = 0.0022321 k( 61) = ( 0.5000000 0.1704546 -0.0000000), wk = 0.0022321 k( 62) = ( 0.5000000 0.1818182 -0.0000000), wk = 0.0022321 k( 63) = ( 0.5000000 0.1931818 -0.0000000), wk = 0.0022321 k( 64) = ( 0.5000000 0.2045455 -0.0000000), wk = 0.0022321 k( 65) = ( 0.5000000 0.2159091 -0.0000000), wk = 0.0022321 k( 66) = ( 0.5000000 0.2272727 0.0000000), wk = 0.0022321 k( 67) = ( 0.5000000 0.2386364 -0.0000000), wk = 0.0022321 k( 68) = ( 0.5000000 0.2500000 -0.0000000), wk = 0.0022321 k( 69) = ( 0.5000000 0.2613636 -0.0000000), wk = 0.0022321 k( 70) = ( 0.5000000 0.2727273 -0.0000000), wk = 0.0022321 k( 71) = ( 0.5000000 0.2840909 -0.0000000), wk = 0.0022321 k( 72) = ( 0.5000000 0.2954546 0.0000000), wk = 0.0022321 k( 73) = ( 0.5000000 0.3068182 0.0000000), wk = 0.0022321 k( 74) = ( 0.5000000 0.3181818 0.0000000), wk = 0.0022321 k( 75) = ( 0.5000000 0.3295455 0.0000000), wk = 0.0022321 k( 76) = ( 0.5000000 0.3409091 0.0000000), wk = 0.0022321 k( 77) = ( 0.5000000 0.3522727 -0.0000000), wk = 0.0022321 k( 78) = ( 0.5000000 0.3636364 0.0000000), wk = 0.0022321 k( 79) = ( 0.5000000 0.3750000 -0.0000000), wk = 0.0022321 k( 80) = ( 0.5000000 0.3863636 -0.0000000), wk = 0.0022321 k( 81) = ( 0.5000000 0.3977273 -0.0000000), wk = 0.0022321 k( 82) = ( 0.5000000 0.4090909 -0.0000000), wk = 0.0022321 k( 83) = ( 0.5000000 0.4204546 0.0000000), wk = 0.0022321 k( 84) = ( 0.5000000 0.4318182 -0.0000000), wk = 0.0022321 k( 85) = ( 0.5000000 0.4431818 0.0000000), wk = 0.0022321 k( 86) = ( 0.5000000 0.4545455 0.0000000), wk = 0.0022321 k( 87) = ( 0.5000000 0.4659091 -0.0000000), wk = 0.0022321 k( 88) = ( 0.5000000 0.4772727 -0.0000000), wk = 0.0022321 k( 89) = ( 0.5000000 0.4886364 -0.0000000), wk = 0.0022321 k( 90) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0022321 k( 91) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0022321 k( 92) = ( 0.4886364 0.5000000 0.0000000), wk = 0.0022321 k( 93) = ( 0.4772727 0.5000000 -0.0000000), wk = 0.0022321 k( 94) = ( 0.4659091 0.5000000 -0.0000000), wk = 0.0022321 k( 95) = ( 0.4545455 0.5000000 -0.0000000), wk = 0.0022321 k( 96) = ( 0.4431818 0.5000000 -0.0000000), wk = 0.0022321 k( 97) = ( 0.4318182 0.5000000 -0.0000000), wk = 0.0022321 k( 98) = ( 0.4204545 0.5000000 -0.0000000), wk = 0.0022321 k( 99) = ( 0.4090909 0.5000000 -0.0000000), wk = 0.0022321 k( 100) = ( 0.3977273 0.5000000 0.0000000), wk = 0.0022321 k( 101) = ( 0.3863636 0.5000000 0.0000000), wk = 0.0022321 k( 102) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0022321 k( 103) = ( 0.3636364 0.5000000 -0.0000000), wk = 0.0022321 k( 104) = ( 0.3522727 0.5000000 -0.0000000), wk = 0.0022321 k( 105) = ( 0.3409091 0.5000000 -0.0000000), wk = 0.0022321 k( 106) = ( 0.3295455 0.5000000 0.0000000), wk = 0.0022321 k( 107) = ( 0.3181818 0.5000000 0.0000000), wk = 0.0022321 k( 108) = ( 0.3068182 0.5000000 0.0000000), wk = 0.0022321 k( 109) = ( 0.2954545 0.5000000 0.0000000), wk = 0.0022321 k( 110) = ( 0.2840909 0.5000000 -0.0000000), wk = 0.0022321 k( 111) = ( 0.2727273 0.5000000 0.0000000), wk = 0.0022321 k( 112) = ( 0.2613636 0.5000000 -0.0000000), wk = 0.0022321 k( 113) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0022321 k( 114) = ( 0.2386364 0.5000000 0.0000000), wk = 0.0022321 k( 115) = ( 0.2272727 0.5000000 0.0000000), wk = 0.0022321 k( 116) = ( 0.2159091 0.5000000 -0.0000000), wk = 0.0022321 k( 117) = ( 0.2045454 0.5000000 0.0000000), wk = 0.0022321 k( 118) = ( 0.1931818 0.5000000 -0.0000000), wk = 0.0022321 k( 119) = ( 0.1818182 0.5000000 -0.0000000), wk = 0.0022321 k( 120) = ( 0.1704546 0.5000000 -0.0000000), wk = 0.0022321 k( 121) = ( 0.1590909 0.5000000 0.0000000), wk = 0.0022321 k( 122) = ( 0.1477273 0.5000000 0.0000000), wk = 0.0022321 k( 123) = ( 0.1363636 0.5000000 0.0000000), wk = 0.0022321 k( 124) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0022321 k( 125) = ( 0.1136364 0.5000000 -0.0000000), wk = 0.0022321 k( 126) = ( 0.1022727 0.5000000 0.0000000), wk = 0.0022321 k( 127) = ( 0.0909091 0.5000000 0.0000000), wk = 0.0022321 k( 128) = ( 0.0795455 0.5000000 0.0000000), wk = 0.0022321 k( 129) = ( 0.0681818 0.5000000 0.0000000), wk = 0.0022321 k( 130) = ( 0.0568182 0.5000000 0.0000000), wk = 0.0022321 k( 131) = ( 0.0454546 0.5000000 -0.0000000), wk = 0.0022321 k( 132) = ( 0.0340909 0.5000000 0.0000000), wk = 0.0022321 k( 133) = ( 0.0227273 0.5000000 -0.0000000), wk = 0.0022321 k( 134) = ( 0.0113636 0.5000000 0.0000000), wk = 0.0022321 k( 135) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022321 k( 136) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022321 k( 137) = ( 0.0000000 0.4886364 -0.0000000), wk = 0.0022321 k( 138) = ( 0.0000000 0.4772727 -0.0000000), wk = 0.0022321 k( 139) = ( 0.0000000 0.4659091 0.0000000), wk = 0.0022321 k( 140) = ( 0.0000000 0.4545455 0.0000000), wk = 0.0022321 k( 141) = ( 0.0000000 0.4431818 -0.0000000), wk = 0.0022321 k( 142) = ( 0.0000000 0.4318182 0.0000000), wk = 0.0022321 k( 143) = ( 0.0000000 0.4204546 -0.0000000), wk = 0.0022321 k( 144) = ( 0.0000000 0.4090909 -0.0000000), wk = 0.0022321 k( 145) = ( 0.0000000 0.3977273 0.0000000), wk = 0.0022321 k( 146) = ( 0.0000000 0.3863636 -0.0000000), wk = 0.0022321 k( 147) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0022321 k( 148) = ( 0.0000000 0.3636364 -0.0000000), wk = 0.0022321 k( 149) = ( 0.0000000 0.3522727 0.0000000), wk = 0.0022321 k( 150) = ( 0.0000000 0.3409091 0.0000000), wk = 0.0022321 k( 151) = ( 0.0000000 0.3295455 0.0000000), wk = 0.0022321 k( 152) = ( 0.0000000 0.3181818 -0.0000000), wk = 0.0022321 k( 153) = ( 0.0000000 0.3068182 0.0000000), wk = 0.0022321 k( 154) = ( 0.0000000 0.2954546 0.0000000), wk = 0.0022321 k( 155) = ( 0.0000000 0.2840909 0.0000000), wk = 0.0022321 k( 156) = ( 0.0000000 0.2727273 -0.0000000), wk = 0.0022321 k( 157) = ( 0.0000000 0.2613636 -0.0000000), wk = 0.0022321 k( 158) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0022321 k( 159) = ( 0.0000000 0.2386364 0.0000000), wk = 0.0022321 k( 160) = ( 0.0000000 0.2272727 -0.0000000), wk = 0.0022321 k( 161) = ( 0.0000000 0.2159091 0.0000000), wk = 0.0022321 k( 162) = ( 0.0000000 0.2045455 0.0000000), wk = 0.0022321 k( 163) = ( 0.0000000 0.1931818 -0.0000000), wk = 0.0022321 k( 164) = ( 0.0000000 0.1818182 -0.0000000), wk = 0.0022321 k( 165) = ( 0.0000000 0.1704546 0.0000000), wk = 0.0022321 k( 166) = ( 0.0000000 0.1590909 -0.0000000), wk = 0.0022321 k( 167) = ( 0.0000000 0.1477273 0.0000000), wk = 0.0022321 k( 168) = ( 0.0000000 0.1363636 0.0000000), wk = 0.0022321 k( 169) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0022321 k( 170) = ( 0.0000000 0.1136364 -0.0000000), wk = 0.0022321 k( 171) = ( 0.0000000 0.1022727 0.0000000), wk = 0.0022321 k( 172) = ( 0.0000000 0.0909091 -0.0000000), wk = 0.0022321 k( 173) = ( 0.0000000 0.0795455 -0.0000000), wk = 0.0022321 k( 174) = ( 0.0000000 0.0681818 0.0000000), wk = 0.0022321 k( 175) = ( 0.0000000 0.0568182 -0.0000000), wk = 0.0022321 k( 176) = ( 0.0000000 0.0454546 0.0000000), wk = 0.0022321 k( 177) = ( 0.0000000 0.0340909 0.0000000), wk = 0.0022321 k( 178) = ( 0.0000000 0.0227273 -0.0000000), wk = 0.0022321 k( 179) = ( 0.0000000 0.0113636 0.0000000), wk = 0.0022321 k( 180) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022321 k( 181) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022321 k( 182) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0022321 k( 183) = ( 0.0000000 0.0000000 0.0476191), wk = 0.0022321 k( 184) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0022321 k( 185) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0022321 k( 186) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0022321 k( 187) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0022321 k( 188) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0022321 k( 189) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0022321 k( 190) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0022321 k( 191) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0022321 k( 192) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0022321 k( 193) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0022321 k( 194) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0022321 k( 195) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0022321 k( 196) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0022321 k( 197) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0022321 k( 198) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0022321 k( 199) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0022321 k( 200) = ( 0.0000000 0.0000000 0.4523810), wk = 0.0022321 k( 201) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0022321 k( 202) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022321 k( 203) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022321 k( 204) = ( 0.0113636 -0.0000000 0.5000000), wk = 0.0022321 k( 205) = ( 0.0227273 0.0000000 0.5000000), wk = 0.0022321 k( 206) = ( 0.0340909 0.0000000 0.5000000), wk = 0.0022321 k( 207) = ( 0.0454546 -0.0000000 0.5000000), wk = 0.0022321 k( 208) = ( 0.0568182 -0.0000000 0.5000000), wk = 0.0022321 k( 209) = ( 0.0681818 0.0000000 0.5000000), wk = 0.0022321 k( 210) = ( 0.0795455 -0.0000000 0.5000000), wk = 0.0022321 k( 211) = ( 0.0909091 -0.0000000 0.5000000), wk = 0.0022321 k( 212) = ( 0.1022727 0.0000000 0.5000000), wk = 0.0022321 k( 213) = ( 0.1136364 -0.0000000 0.5000000), wk = 0.0022321 k( 214) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0022321 k( 215) = ( 0.1363636 0.0000000 0.5000000), wk = 0.0022321 k( 216) = ( 0.1477273 0.0000000 0.5000000), wk = 0.0022321 k( 217) = ( 0.1590909 0.0000000 0.5000000), wk = 0.0022321 k( 218) = ( 0.1704546 -0.0000000 0.5000000), wk = 0.0022321 k( 219) = ( 0.1818182 -0.0000000 0.5000000), wk = 0.0022321 k( 220) = ( 0.1931818 -0.0000000 0.5000000), wk = 0.0022321 k( 221) = ( 0.2045454 -0.0000000 0.5000000), wk = 0.0022321 k( 222) = ( 0.2159091 -0.0000000 0.5000000), wk = 0.0022321 k( 223) = ( 0.2272727 0.0000000 0.5000000), wk = 0.0022321 k( 224) = ( 0.2386364 0.0000000 0.5000000), wk = 0.0022321 k( 225) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0022321 k( 226) = ( 0.2613636 -0.0000000 0.5000000), wk = 0.0022321 k( 227) = ( 0.2727273 -0.0000000 0.5000000), wk = 0.0022321 k( 228) = ( 0.2840909 0.0000000 0.5000000), wk = 0.0022321 k( 229) = ( 0.2954545 0.0000000 0.5000000), wk = 0.0022321 k( 230) = ( 0.3068182 -0.0000000 0.5000000), wk = 0.0022321 k( 231) = ( 0.3181818 0.0000000 0.5000000), wk = 0.0022321 k( 232) = ( 0.3295455 -0.0000000 0.5000000), wk = 0.0022321 k( 233) = ( 0.3409091 -0.0000000 0.5000000), wk = 0.0022321 k( 234) = ( 0.3522727 0.0000000 0.5000000), wk = 0.0022321 k( 235) = ( 0.3636364 -0.0000000 0.5000000), wk = 0.0022321 k( 236) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0022321 k( 237) = ( 0.3863636 -0.0000000 0.5000000), wk = 0.0022321 k( 238) = ( 0.3977273 -0.0000000 0.5000000), wk = 0.0022321 k( 239) = ( 0.4090909 -0.0000000 0.5000000), wk = 0.0022321 k( 240) = ( 0.4204545 0.0000000 0.5000000), wk = 0.0022321 k( 241) = ( 0.4318182 -0.0000000 0.5000000), wk = 0.0022321 k( 242) = ( 0.4431818 0.0000000 0.5000000), wk = 0.0022321 k( 243) = ( 0.4545455 0.0000000 0.5000000), wk = 0.0022321 k( 244) = ( 0.4659091 -0.0000000 0.5000000), wk = 0.0022321 k( 245) = ( 0.4772727 0.0000000 0.5000000), wk = 0.0022321 k( 246) = ( 0.4886364 -0.0000000 0.5000000), wk = 0.0022321 k( 247) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022321 k( 248) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022321 k( 249) = ( 0.5000000 0.0113636 0.5000000), wk = 0.0022321 k( 250) = ( 0.5000000 0.0227273 0.5000000), wk = 0.0022321 k( 251) = ( 0.5000000 0.0340909 0.5000000), wk = 0.0022321 k( 252) = ( 0.5000000 0.0454546 0.5000000), wk = 0.0022321 k( 253) = ( 0.5000000 0.0568182 0.5000000), wk = 0.0022321 k( 254) = ( 0.5000000 0.0681818 0.5000000), wk = 0.0022321 k( 255) = ( 0.5000000 0.0795455 0.5000000), wk = 0.0022321 k( 256) = ( 0.5000000 0.0909091 0.5000000), wk = 0.0022321 k( 257) = ( 0.5000000 0.1022727 0.5000000), wk = 0.0022321 k( 258) = ( 0.5000000 0.1136364 0.5000000), wk = 0.0022321 k( 259) = ( 0.5000000 0.1250000 0.5000000), wk = 0.0022321 k( 260) = ( 0.5000000 0.1363636 0.5000000), wk = 0.0022321 k( 261) = ( 0.5000000 0.1477273 0.5000000), wk = 0.0022321 k( 262) = ( 0.5000000 0.1590909 0.5000000), wk = 0.0022321 k( 263) = ( 0.5000000 0.1704546 0.5000000), wk = 0.0022321 k( 264) = ( 0.5000000 0.1818182 0.5000000), wk = 0.0022321 k( 265) = ( 0.5000000 0.1931818 0.5000000), wk = 0.0022321 k( 266) = ( 0.5000000 0.2045455 0.5000000), wk = 0.0022321 k( 267) = ( 0.5000000 0.2159091 0.5000000), wk = 0.0022321 k( 268) = ( 0.5000000 0.2272727 0.5000000), wk = 0.0022321 k( 269) = ( 0.5000000 0.2386364 0.5000000), wk = 0.0022321 k( 270) = ( 0.5000000 0.2500000 0.5000000), wk = 0.0022321 k( 271) = ( 0.5000000 0.2613636 0.5000000), wk = 0.0022321 k( 272) = ( 0.5000000 0.2727273 0.5000000), wk = 0.0022321 k( 273) = ( 0.5000000 0.2840909 0.5000000), wk = 0.0022321 k( 274) = ( 0.5000000 0.2954546 0.5000000), wk = 0.0022321 k( 275) = ( 0.5000000 0.3068182 0.5000000), wk = 0.0022321 k( 276) = ( 0.5000000 0.3181818 0.5000000), wk = 0.0022321 k( 277) = ( 0.5000000 0.3295455 0.5000000), wk = 0.0022321 k( 278) = ( 0.5000000 0.3409091 0.5000000), wk = 0.0022321 k( 279) = ( 0.5000000 0.3522727 0.5000000), wk = 0.0022321 k( 280) = ( 0.5000000 0.3636364 0.5000000), wk = 0.0022321 k( 281) = ( 0.5000000 0.3750000 0.5000000), wk = 0.0022321 k( 282) = ( 0.5000000 0.3863636 0.5000000), wk = 0.0022321 k( 283) = ( 0.5000000 0.3977273 0.5000000), wk = 0.0022321 k( 284) = ( 0.5000000 0.4090909 0.5000000), wk = 0.0022321 k( 285) = ( 0.5000000 0.4204546 0.5000000), wk = 0.0022321 k( 286) = ( 0.5000000 0.4318182 0.5000000), wk = 0.0022321 k( 287) = ( 0.5000000 0.4431818 0.5000000), wk = 0.0022321 k( 288) = ( 0.5000000 0.4545455 0.5000000), wk = 0.0022321 k( 289) = ( 0.5000000 0.4659091 0.5000000), wk = 0.0022321 k( 290) = ( 0.5000000 0.4772727 0.5000000), wk = 0.0022321 k( 291) = ( 0.5000000 0.4886364 0.5000000), wk = 0.0022321 k( 292) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022321 k( 293) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022321 k( 294) = ( 0.4886364 0.5000000 0.5000000), wk = 0.0022321 k( 295) = ( 0.4772727 0.5000000 0.5000000), wk = 0.0022321 k( 296) = ( 0.4659091 0.5000000 0.5000000), wk = 0.0022321 k( 297) = ( 0.4545455 0.5000000 0.5000000), wk = 0.0022321 k( 298) = ( 0.4431818 0.5000000 0.5000000), wk = 0.0022321 k( 299) = ( 0.4318182 0.5000000 0.5000000), wk = 0.0022321 k( 300) = ( 0.4204545 0.5000000 0.5000000), wk = 0.0022321 k( 301) = ( 0.4090909 0.5000000 0.5000000), wk = 0.0022321 k( 302) = ( 0.3977273 0.5000000 0.5000000), wk = 0.0022321 k( 303) = ( 0.3863636 0.5000000 0.5000000), wk = 0.0022321 k( 304) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0022321 k( 305) = ( 0.3636364 0.5000000 0.5000000), wk = 0.0022321 k( 306) = ( 0.3522727 0.5000000 0.5000000), wk = 0.0022321 k( 307) = ( 0.3409091 0.5000000 0.5000000), wk = 0.0022321 k( 308) = ( 0.3295455 0.5000000 0.5000000), wk = 0.0022321 k( 309) = ( 0.3181818 0.5000000 0.5000000), wk = 0.0022321 k( 310) = ( 0.3068182 0.5000000 0.5000000), wk = 0.0022321 k( 311) = ( 0.2954545 0.5000000 0.5000000), wk = 0.0022321 k( 312) = ( 0.2840909 0.5000000 0.5000000), wk = 0.0022321 k( 313) = ( 0.2727273 0.5000000 0.5000000), wk = 0.0022321 k( 314) = ( 0.2613636 0.5000000 0.5000000), wk = 0.0022321 k( 315) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0022321 k( 316) = ( 0.2386364 0.5000000 0.5000000), wk = 0.0022321 k( 317) = ( 0.2272727 0.5000000 0.5000000), wk = 0.0022321 k( 318) = ( 0.2159091 0.5000000 0.5000000), wk = 0.0022321 k( 319) = ( 0.2045454 0.5000000 0.5000000), wk = 0.0022321 k( 320) = ( 0.1931818 0.5000000 0.5000000), wk = 0.0022321 k( 321) = ( 0.1818182 0.5000000 0.5000000), wk = 0.0022321 k( 322) = ( 0.1704546 0.5000000 0.5000000), wk = 0.0022321 k( 323) = ( 0.1590909 0.5000000 0.5000000), wk = 0.0022321 k( 324) = ( 0.1477273 0.5000000 0.5000000), wk = 0.0022321 k( 325) = ( 0.1363636 0.5000000 0.5000000), wk = 0.0022321 k( 326) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0022321 k( 327) = ( 0.1136364 0.5000000 0.5000000), wk = 0.0022321 k( 328) = ( 0.1022727 0.5000000 0.5000000), wk = 0.0022321 k( 329) = ( 0.0909091 0.5000000 0.5000000), wk = 0.0022321 k( 330) = ( 0.0795455 0.5000000 0.5000000), wk = 0.0022321 k( 331) = ( 0.0681818 0.5000000 0.5000000), wk = 0.0022321 k( 332) = ( 0.0568182 0.5000000 0.5000000), wk = 0.0022321 k( 333) = ( 0.0454546 0.5000000 0.5000000), wk = 0.0022321 k( 334) = ( 0.0340909 0.5000000 0.5000000), wk = 0.0022321 k( 335) = ( 0.0227273 0.5000000 0.5000000), wk = 0.0022321 k( 336) = ( 0.0113636 0.5000000 0.5000000), wk = 0.0022321 k( 337) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022321 k( 338) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022321 k( 339) = ( 0.0000000 0.4886364 0.5000000), wk = 0.0022321 k( 340) = ( 0.0000000 0.4772727 0.5000000), wk = 0.0022321 k( 341) = ( 0.0000000 0.4659091 0.5000000), wk = 0.0022321 k( 342) = ( 0.0000000 0.4545455 0.5000000), wk = 0.0022321 k( 343) = ( 0.0000000 0.4431818 0.5000000), wk = 0.0022321 k( 344) = ( 0.0000000 0.4318182 0.5000000), wk = 0.0022321 k( 345) = ( 0.0000000 0.4204546 0.5000000), wk = 0.0022321 k( 346) = ( 0.0000000 0.4090909 0.5000000), wk = 0.0022321 k( 347) = ( 0.0000000 0.3977273 0.5000000), wk = 0.0022321 k( 348) = ( 0.0000000 0.3863636 0.5000000), wk = 0.0022321 k( 349) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0022321 k( 350) = ( 0.0000000 0.3636364 0.5000000), wk = 0.0022321 k( 351) = ( 0.0000000 0.3522727 0.5000000), wk = 0.0022321 k( 352) = ( 0.0000000 0.3409091 0.5000000), wk = 0.0022321 k( 353) = ( 0.0000000 0.3295455 0.5000000), wk = 0.0022321 k( 354) = ( 0.0000000 0.3181818 0.5000000), wk = 0.0022321 k( 355) = ( 0.0000000 0.3068182 0.5000000), wk = 0.0022321 k( 356) = ( 0.0000000 0.2954546 0.5000000), wk = 0.0022321 k( 357) = ( 0.0000000 0.2840909 0.5000000), wk = 0.0022321 k( 358) = ( 0.0000000 0.2727273 0.5000000), wk = 0.0022321 k( 359) = ( 0.0000000 0.2613636 0.5000000), wk = 0.0022321 k( 360) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0022321 k( 361) = ( 0.0000000 0.2386364 0.5000000), wk = 0.0022321 k( 362) = ( 0.0000000 0.2272727 0.5000000), wk = 0.0022321 k( 363) = ( 0.0000000 0.2159091 0.5000000), wk = 0.0022321 k( 364) = ( 0.0000000 0.2045455 0.5000000), wk = 0.0022321 k( 365) = ( 0.0000000 0.1931818 0.5000000), wk = 0.0022321 k( 366) = ( 0.0000000 0.1818182 0.5000000), wk = 0.0022321 k( 367) = ( 0.0000000 0.1704546 0.5000000), wk = 0.0022321 k( 368) = ( 0.0000000 0.1590909 0.5000000), wk = 0.0022321 k( 369) = ( 0.0000000 0.1477273 0.5000000), wk = 0.0022321 k( 370) = ( 0.0000000 0.1363636 0.5000000), wk = 0.0022321 k( 371) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0022321 k( 372) = ( 0.0000000 0.1136364 0.5000000), wk = 0.0022321 k( 373) = ( 0.0000000 0.1022727 0.5000000), wk = 0.0022321 k( 374) = ( 0.0000000 0.0909091 0.5000000), wk = 0.0022321 k( 375) = ( 0.0000000 0.0795455 0.5000000), wk = 0.0022321 k( 376) = ( 0.0000000 0.0681818 0.5000000), wk = 0.0022321 k( 377) = ( 0.0000000 0.0568182 0.5000000), wk = 0.0022321 k( 378) = ( 0.0000000 0.0454546 0.5000000), wk = 0.0022321 k( 379) = ( 0.0000000 0.0340909 0.5000000), wk = 0.0022321 k( 380) = ( 0.0000000 0.0227273 0.5000000), wk = 0.0022321 k( 381) = ( 0.0000000 0.0113636 0.5000000), wk = 0.0022321 k( 382) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022321 k( 383) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022321 k( 384) = ( 0.0000000 0.5000000 0.0238095), wk = 0.0022321 k( 385) = ( 0.0000000 0.5000000 0.0476191), wk = 0.0022321 k( 386) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0022321 k( 387) = ( 0.0000000 0.5000000 0.0952381), wk = 0.0022321 k( 388) = ( 0.0000000 0.5000000 0.1190476), wk = 0.0022321 k( 389) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0022321 k( 390) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0022321 k( 391) = ( 0.0000000 0.5000000 0.1904762), wk = 0.0022321 k( 392) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0022321 k( 393) = ( 0.0000000 0.5000000 0.2380952), wk = 0.0022321 k( 394) = ( 0.0000000 0.5000000 0.2619048), wk = 0.0022321 k( 395) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0022321 k( 396) = ( 0.0000000 0.5000000 0.3095238), wk = 0.0022321 k( 397) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0022321 k( 398) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0022321 k( 399) = ( 0.0000000 0.5000000 0.3809524), wk = 0.0022321 k( 400) = ( 0.0000000 0.5000000 0.4047619), wk = 0.0022321 k( 401) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0022321 k( 402) = ( 0.0000000 0.5000000 0.4523810), wk = 0.0022321 k( 403) = ( 0.0000000 0.5000000 0.4761905), wk = 0.0022321 k( 404) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022321 k( 405) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022321 k( 406) = ( 0.5000000 0.0000000 0.4761905), wk = 0.0022321 k( 407) = ( 0.5000000 0.0000000 0.4523810), wk = 0.0022321 k( 408) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0022321 k( 409) = ( 0.5000000 0.0000000 0.4047619), wk = 0.0022321 k( 410) = ( 0.5000000 0.0000000 0.3809524), wk = 0.0022321 k( 411) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0022321 k( 412) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0022321 k( 413) = ( 0.5000000 0.0000000 0.3095238), wk = 0.0022321 k( 414) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0022321 k( 415) = ( 0.5000000 0.0000000 0.2619048), wk = 0.0022321 k( 416) = ( 0.5000000 0.0000000 0.2380952), wk = 0.0022321 k( 417) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0022321 k( 418) = ( 0.5000000 0.0000000 0.1904762), wk = 0.0022321 k( 419) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0022321 k( 420) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0022321 k( 421) = ( 0.5000000 0.0000000 0.1190476), wk = 0.0022321 k( 422) = ( 0.5000000 0.0000000 0.0952381), wk = 0.0022321 k( 423) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0022321 k( 424) = ( 0.5000000 0.0000000 0.0476191), wk = 0.0022321 k( 425) = ( 0.5000000 0.0000000 0.0238095), wk = 0.0022321 k( 426) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0022321 k( 427) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0022321 k( 428) = ( 0.5000000 0.5000000 0.0238095), wk = 0.0022321 k( 429) = ( 0.5000000 0.5000000 0.0476191), wk = 0.0022321 k( 430) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0022321 k( 431) = ( 0.5000000 0.5000000 0.0952381), wk = 0.0022321 k( 432) = ( 0.5000000 0.5000000 0.1190476), wk = 0.0022321 k( 433) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0022321 k( 434) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0022321 k( 435) = ( 0.5000000 0.5000000 0.1904762), wk = 0.0022321 k( 436) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0022321 k( 437) = ( 0.5000000 0.5000000 0.2380952), wk = 0.0022321 k( 438) = ( 0.5000000 0.5000000 0.2619048), wk = 0.0022321 k( 439) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0022321 k( 440) = ( 0.5000000 0.5000000 0.3095238), wk = 0.0022321 k( 441) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0022321 k( 442) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0022321 k( 443) = ( 0.5000000 0.5000000 0.3809524), wk = 0.0022321 k( 444) = ( 0.5000000 0.5000000 0.4047619), wk = 0.0022321 k( 445) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0022321 k( 446) = ( 0.5000000 0.5000000 0.4523810), wk = 0.0022321 k( 447) = ( 0.5000000 0.5000000 0.4761905), wk = 0.0022321 k( 448) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022321 Dense grid: 66651 G-vectors FFT dimensions: ( 40, 40, 90) Smooth grid: 29343 G-vectors FFT dimensions: ( 30, 30, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 206, 40) NL pseudopotentials 0.26 Mb ( 103, 164) Each V/rho on FFT grid 0.07 Mb ( 4800) Each G-vector array 0.01 Mb ( 1849) G-vector shells 0.01 Mb ( 941) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.50 Mb ( 206, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.20 Mb ( 164, 2, 40) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./AlClO.save/charge-density.dat Starting wfc are 48 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.9 secs Computing kpt #: 2 total cpu time spent up to now is 3.2 secs Computing kpt #: 3 total cpu time spent up to now is 3.4 secs Computing kpt #: 4 total cpu time spent up to now is 3.7 secs Computing kpt #: 5 total cpu time spent up to now is 3.9 secs Computing kpt #: 6 total cpu time spent up to now is 4.2 secs Computing kpt #: 7 total cpu time spent up to now is 4.5 secs Computing kpt #: 8 total cpu time spent up to now is 4.7 secs Computing kpt #: 9 total cpu time spent up to now is 5.0 secs Computing kpt #: 10 total cpu time spent up to now is 5.3 secs Computing kpt #: 11 total cpu time spent up to now is 5.5 secs Computing kpt #: 12 total cpu time spent up to now is 5.8 secs Computing kpt #: 13 total cpu time spent up to now is 6.1 secs Computing kpt #: 14 total cpu time spent up to now is 6.4 secs Computing kpt #: 15 total cpu time spent up to now is 6.7 secs Computing kpt #: 16 total cpu time spent up to now is 7.1 secs Computing kpt #: 17 total cpu time spent up to now is 7.4 secs Computing kpt #: 18 total cpu time spent up to now is 7.7 secs Computing kpt #: 19 total cpu time spent up to now is 8.1 secs Computing kpt #: 20 total cpu time spent up to now is 8.4 secs Computing kpt #: 21 total cpu time spent up to now is 8.7 secs Computing kpt #: 22 total cpu time spent up to now is 9.0 secs Computing kpt #: 23 total cpu time spent up to now is 9.3 secs Computing kpt #: 24 total cpu time spent up to now is 9.6 secs Computing kpt #: 25 total cpu time spent up to now is 9.9 secs Computing kpt #: 26 total cpu time spent up to now is 10.2 secs Computing kpt #: 27 total cpu time spent up to now is 10.5 secs Computing kpt #: 28 total cpu time spent up to now is 10.8 secs Computing kpt #: 29 total cpu time spent up to now is 11.4 secs Computing kpt #: 30 total cpu time spent up to now is 11.7 secs Computing kpt #: 31 total cpu time spent up to now is 12.0 secs Computing kpt #: 32 total cpu time spent up to now is 12.3 secs Computing kpt #: 33 total cpu time spent up to now is 12.5 secs Computing kpt #: 34 total cpu time spent up to now is 12.8 secs Computing kpt #: 35 total cpu time spent up to now is 13.1 secs Computing kpt #: 36 total cpu time spent up to now is 13.4 secs Computing kpt #: 37 total cpu time spent up to now is 13.6 secs Computing kpt #: 38 total cpu time spent up to now is 13.9 secs Computing kpt #: 39 total cpu time spent up to now is 14.2 secs Computing kpt #: 40 total cpu time spent up to now is 14.5 secs Computing kpt #: 41 total cpu time spent up to now is 14.7 secs Computing kpt #: 42 total cpu time spent up to now is 15.0 secs Computing kpt #: 43 total cpu time spent up to now is 15.3 secs Computing kpt #: 44 total cpu time spent up to now is 15.5 secs Computing kpt #: 45 total cpu time spent up to now is 15.8 secs Computing kpt #: 46 total cpu time spent up to now is 16.1 secs Computing kpt #: 47 total cpu time spent up to now is 16.3 secs Computing kpt #: 48 total cpu time spent up to now is 16.6 secs Computing kpt #: 49 total cpu time spent up to now is 16.9 secs Computing kpt #: 50 total cpu time spent up to now is 17.1 secs Computing kpt #: 51 total cpu time spent up to now is 17.4 secs Computing kpt #: 52 total cpu time spent up to now is 17.7 secs Computing kpt #: 53 total cpu time spent up to now is 18.0 secs Computing kpt #: 54 total cpu time spent up to now is 18.2 secs Computing kpt #: 55 total cpu time spent up to now is 18.5 secs Computing kpt #: 56 total cpu time spent up to now is 18.8 secs Computing kpt #: 57 total cpu time spent up to now is 19.1 secs Computing kpt #: 58 total cpu time spent up to now is 19.4 secs Computing kpt #: 59 total cpu time spent up to now is 19.7 secs Computing kpt #: 60 total cpu time spent up to now is 19.9 secs Computing kpt #: 61 total cpu time spent up to now is 20.2 secs Computing kpt #: 62 total cpu time spent up to now is 20.5 secs Computing kpt #: 63 total cpu time spent up to now is 20.8 secs Computing kpt #: 64 total cpu time spent up to now is 21.1 secs Computing kpt #: 65 total cpu time spent up to now is 21.4 secs Computing kpt #: 66 total cpu time spent up to now is 21.7 secs Computing kpt #: 67 total cpu time spent up to now is 22.0 secs Computing kpt #: 68 total cpu time spent up to now is 22.3 secs Computing kpt #: 69 total cpu time spent up to now is 22.6 secs Computing kpt #: 70 total cpu time spent up to now is 22.9 secs Computing kpt #: 71 total cpu time spent up to now is 23.2 secs Computing kpt #: 72 total cpu time spent up to now is 23.5 secs Computing kpt #: 73 total cpu time spent up to now is 23.8 secs Computing kpt #: 74 total cpu time spent up to now is 24.1 secs Computing kpt #: 75 total cpu time spent up to now is 24.4 secs Computing kpt #: 76 total cpu time spent up to now is 24.7 secs Computing kpt #: 77 total cpu time spent up to now is 25.0 secs Computing kpt #: 78 total cpu time spent up to now is 25.3 secs Computing kpt #: 79 total cpu time spent up to now is 25.7 secs Computing kpt #: 80 total cpu time spent up to now is 26.0 secs Computing kpt #: 81 total cpu time spent up to now is 26.3 secs Computing kpt #: 82 total cpu time spent up to now is 26.6 secs Computing kpt #: 83 total cpu time spent up to now is 26.9 secs Computing kpt #: 84 total cpu time spent up to now is 27.2 secs Computing kpt #: 85 total cpu time spent up to now is 27.5 secs Computing kpt #: 86 total cpu time spent up to now is 27.8 secs Computing kpt #: 87 total cpu time spent up to now is 28.1 secs Computing kpt #: 88 total cpu time spent up to now is 28.4 secs Computing kpt #: 89 total cpu time spent up to now is 28.7 secs Computing kpt #: 90 total cpu time spent up to now is 29.0 secs Computing kpt #: 91 total cpu time spent up to now is 29.3 secs Computing kpt #: 92 total cpu time spent up to now is 29.6 secs Computing kpt #: 93 total cpu time spent up to now is 29.9 secs Computing kpt #: 94 total cpu time spent up to now is 30.2 secs Computing kpt #: 95 total cpu time spent up to now is 30.5 secs Computing kpt #: 96 total cpu time spent up to now is 30.8 secs Computing kpt #: 97 total cpu time spent up to now is 31.1 secs Computing kpt #: 98 total cpu time spent up to now is 31.4 secs Computing kpt #: 99 total cpu time spent up to now is 31.7 secs Computing kpt #: 100 total cpu time spent up to now is 32.0 secs Computing kpt #: 101 total cpu time spent up to now is 32.3 secs Computing kpt #: 102 total cpu time spent up to now is 32.6 secs Computing kpt #: 103 total cpu time spent up to now is 32.9 secs Computing kpt #: 104 total cpu time spent up to now is 33.1 secs Computing kpt #: 105 total cpu time spent up to now is 33.4 secs Computing kpt #: 106 total cpu time spent up to now is 34.1 secs Computing kpt #: 107 total cpu time spent up to now is 34.4 secs Computing kpt #: 108 total cpu time spent up to now is 34.7 secs Computing kpt #: 109 total cpu time spent up to now is 35.0 secs Computing kpt #: 110 total cpu time spent up to now is 35.2 secs Computing kpt #: 111 total cpu time spent up to now is 35.5 secs Computing kpt #: 112 total cpu time spent up to now is 35.8 secs Computing kpt #: 113 total cpu time spent up to now is 36.1 secs Computing kpt #: 114 total cpu time spent up to now is 36.4 secs Computing kpt #: 115 total cpu time spent up to now is 36.7 secs Computing kpt #: 116 total cpu time spent up to now is 37.0 secs Computing kpt #: 117 total cpu time spent up to now is 37.3 secs Computing kpt #: 118 total cpu time spent up to now is 37.5 secs Computing kpt #: 119 total cpu time spent up to now is 37.8 secs Computing kpt #: 120 total cpu time spent up to now is 38.1 secs Computing kpt #: 121 total cpu time spent up to now is 38.4 secs Computing kpt #: 122 total cpu time spent up to now is 38.6 secs Computing kpt #: 123 total cpu time spent up to now is 38.9 secs Computing kpt #: 124 total cpu time spent up to now is 39.2 secs Computing kpt #: 125 total cpu time spent up to now is 39.5 secs Computing kpt #: 126 total cpu time spent up to now is 39.7 secs Computing kpt #: 127 total cpu time spent up to now is 40.0 secs Computing kpt #: 128 total cpu time spent up to now is 40.2 secs Computing kpt #: 129 total cpu time spent up to now is 40.5 secs Computing kpt #: 130 total cpu time spent up to now is 40.7 secs Computing kpt #: 131 total cpu time spent up to now is 41.0 secs Computing kpt #: 132 total cpu time spent up to now is 41.3 secs Computing kpt #: 133 total cpu time spent up to now is 41.5 secs Computing kpt #: 134 total cpu time spent up to now is 41.8 secs Computing kpt #: 135 total cpu time spent up to now is 42.0 secs Computing kpt #: 136 total cpu time spent up to now is 42.3 secs Computing kpt #: 137 total cpu time spent up to now is 42.5 secs Computing kpt #: 138 total cpu time spent up to now is 42.8 secs Computing kpt #: 139 total cpu time spent up to now is 43.1 secs Computing kpt #: 140 total cpu time spent up to now is 43.3 secs Computing kpt #: 141 total cpu time spent up to now is 43.6 secs Computing kpt #: 142 total cpu time spent up to now is 43.8 secs Computing kpt #: 143 total cpu time spent up to now is 44.1 secs Computing kpt #: 144 total cpu time spent up to now is 44.3 secs Computing kpt #: 145 total cpu time spent up to now is 44.6 secs Computing kpt #: 146 total cpu time spent up to now is 44.8 secs Computing kpt #: 147 total cpu time spent up to now is 45.1 secs Computing kpt #: 148 total cpu time spent up to now is 45.3 secs Computing kpt #: 149 total cpu time spent up to now is 45.6 secs Computing kpt #: 150 total cpu time spent up to now is 45.8 secs Computing kpt #: 151 total cpu time spent up to now is 46.1 secs Computing kpt #: 152 total cpu time spent up to now is 46.3 secs Computing kpt #: 153 total cpu time spent up to now is 46.6 secs Computing kpt #: 154 total cpu time spent up to now is 46.8 secs Computing kpt #: 155 total cpu time spent up to now is 47.1 secs Computing kpt #: 156 total cpu time spent up to now is 47.4 secs Computing kpt #: 157 total cpu time spent up to now is 47.6 secs Computing kpt #: 158 total cpu time spent up to now is 47.9 secs Computing kpt #: 159 total cpu time spent up to now is 48.1 secs Computing kpt #: 160 total cpu time spent up to now is 48.4 secs Computing kpt #: 161 total cpu time spent up to now is 48.6 secs Computing kpt #: 162 total cpu time spent up to now is 48.9 secs Computing kpt #: 163 total cpu time spent up to now is 49.1 secs Computing kpt #: 164 total cpu time spent up to now is 49.4 secs Computing kpt #: 165 total cpu time spent up to now is 49.6 secs Computing kpt #: 166 total cpu time spent up to now is 49.9 secs Computing kpt #: 167 total cpu time spent up to now is 50.1 secs Computing kpt #: 168 total cpu time spent up to now is 50.4 secs Computing kpt #: 169 total cpu time spent up to now is 50.7 secs Computing kpt #: 170 total cpu time spent up to now is 50.9 secs Computing kpt #: 171 total cpu time spent up to now is 51.2 secs Computing kpt #: 172 total cpu time spent up to now is 51.4 secs Computing kpt #: 173 total cpu time spent up to now is 51.7 secs Computing kpt #: 174 total cpu time spent up to now is 51.9 secs Computing kpt #: 175 total cpu time spent up to now is 52.2 secs Computing kpt #: 176 total cpu time spent up to now is 52.4 secs Computing kpt #: 177 total cpu time spent up to now is 52.7 secs Computing kpt #: 178 total cpu time spent up to now is 52.9 secs Computing kpt #: 179 total cpu time spent up to now is 53.2 secs Computing kpt #: 180 total cpu time spent up to now is 53.4 secs Computing kpt #: 181 total cpu time spent up to now is 53.7 secs Computing kpt #: 182 total cpu time spent up to now is 53.9 secs Computing kpt #: 183 total cpu time spent up to now is 54.2 secs Computing kpt #: 184 total cpu time spent up to now is 54.4 secs Computing kpt #: 185 total cpu time spent up to now is 54.7 secs Computing kpt #: 186 total cpu time spent up to now is 54.9 secs Computing kpt #: 187 total cpu time spent up to now is 55.1 secs Computing kpt #: 188 total cpu time spent up to now is 55.4 secs Computing kpt #: 189 total cpu time spent up to now is 55.6 secs Computing kpt #: 190 total cpu time spent up to now is 55.9 secs Computing kpt #: 191 total cpu time spent up to now is 56.1 secs Computing kpt #: 192 total cpu time spent up to now is 56.4 secs Computing kpt #: 193 total cpu time spent up to now is 56.6 secs Computing kpt #: 194 total cpu time spent up to now is 56.9 secs Computing kpt #: 195 total cpu time spent up to now is 57.1 secs Computing kpt #: 196 total cpu time spent up to now is 57.4 secs Computing kpt #: 197 total cpu time spent up to now is 57.6 secs Computing kpt #: 198 total cpu time spent up to now is 57.9 secs Computing kpt #: 199 total cpu time spent up to now is 58.1 secs Computing kpt #: 200 total cpu time spent up to now is 58.4 secs Computing kpt #: 201 total cpu time spent up to now is 58.6 secs Computing kpt #: 202 total cpu time spent up to now is 58.9 secs Computing kpt #: 203 total cpu time spent up to now is 59.1 secs Computing kpt #: 204 total cpu time spent up to now is 59.4 secs Computing kpt #: 205 total cpu time spent up to now is 59.6 secs Computing kpt #: 206 total cpu time spent up to now is 59.9 secs Computing kpt #: 207 total cpu time spent up to now is 60.1 secs Computing kpt #: 208 total cpu time spent up to now is 60.4 secs Computing kpt #: 209 total cpu time spent up to now is 60.6 secs Computing kpt #: 210 total cpu time spent up to now is 60.9 secs Computing kpt #: 211 total cpu time spent up to now is 61.1 secs Computing kpt #: 212 total cpu time spent up to now is 61.4 secs Computing kpt #: 213 total cpu time spent up to now is 61.6 secs Computing kpt #: 214 total cpu time spent up to now is 61.9 secs Computing kpt #: 215 total cpu time spent up to now is 62.2 secs Computing kpt #: 216 total cpu time spent up to now is 62.4 secs Computing kpt #: 217 total cpu time spent up to now is 62.7 secs Computing kpt #: 218 total cpu time spent up to now is 63.0 secs Computing kpt #: 219 total cpu time spent up to now is 63.3 secs Computing kpt #: 220 total cpu time spent up to now is 63.6 secs Computing kpt #: 221 total cpu time spent up to now is 63.9 secs Computing kpt #: 222 total cpu time spent up to now is 64.2 secs Computing kpt #: 223 total cpu time spent up to now is 64.5 secs Computing kpt #: 224 total cpu time spent up to now is 64.8 secs Computing kpt #: 225 total cpu time spent up to now is 65.0 secs Computing kpt #: 226 total cpu time spent up to now is 65.3 secs Computing kpt #: 227 total cpu time spent up to now is 65.6 secs Computing kpt #: 228 total cpu time spent up to now is 65.9 secs Computing kpt #: 229 total cpu time spent up to now is 66.2 secs Computing kpt #: 230 total cpu time spent up to now is 66.5 secs Computing kpt #: 231 total cpu time spent up to now is 66.8 secs Computing kpt #: 232 total cpu time spent up to now is 67.1 secs Computing kpt #: 233 total cpu time spent up to now is 67.4 secs Computing kpt #: 234 total cpu time spent up to now is 67.7 secs Computing kpt #: 235 total cpu time spent up to now is 68.0 secs Computing kpt #: 236 total cpu time spent up to now is 68.3 secs Computing kpt #: 237 total cpu time spent up to now is 68.6 secs Computing kpt #: 238 total cpu time spent up to now is 68.9 secs Computing kpt #: 239 total cpu time spent up to now is 69.1 secs Computing kpt #: 240 total cpu time spent up to now is 69.4 secs Computing kpt #: 241 total cpu time spent up to now is 69.7 secs Computing kpt #: 242 total cpu time spent up to now is 70.0 secs Computing kpt #: 243 total cpu time spent up to now is 70.3 secs Computing kpt #: 244 total cpu time spent up to now is 70.6 secs Computing kpt #: 245 total cpu time spent up to now is 70.9 secs Computing kpt #: 246 total cpu time spent up to now is 71.2 secs Computing kpt #: 247 total cpu time spent up to now is 71.4 secs Computing kpt #: 248 total cpu time spent up to now is 71.7 secs Computing kpt #: 249 total cpu time spent up to now is 72.0 secs Computing kpt #: 250 total cpu time spent up to now is 72.3 secs Computing kpt #: 251 total cpu time spent up to now is 72.6 secs Computing kpt #: 252 total cpu time spent up to now is 72.9 secs Computing kpt #: 253 total cpu time spent up to now is 73.2 secs Computing kpt #: 254 total cpu time spent up to now is 73.5 secs Computing kpt #: 255 total cpu time spent up to now is 73.8 secs Computing kpt #: 256 total cpu time spent up to now is 74.1 secs Computing kpt #: 257 total cpu time spent up to now is 74.4 secs Computing kpt #: 258 total cpu time spent up to now is 74.7 secs Computing kpt #: 259 total cpu time spent up to now is 75.0 secs Computing kpt #: 260 total cpu time spent up to now is 75.3 secs Computing kpt #: 261 total cpu time spent up to now is 75.6 secs Computing kpt #: 262 total cpu time spent up to now is 75.9 secs Computing kpt #: 263 total cpu time spent up to now is 76.2 secs Computing kpt #: 264 total cpu time spent up to now is 76.5 secs Computing kpt #: 265 total cpu time spent up to now is 76.8 secs Computing kpt #: 266 total cpu time spent up to now is 77.1 secs Computing kpt #: 267 total cpu time spent up to now is 77.4 secs Computing kpt #: 268 total cpu time spent up to now is 77.8 secs Computing kpt #: 269 total cpu time spent up to now is 78.1 secs Computing kpt #: 270 total cpu time spent up to now is 78.4 secs Computing kpt #: 271 total cpu time spent up to now is 78.7 secs Computing kpt #: 272 total cpu time spent up to now is 79.0 secs Computing kpt #: 273 total cpu time spent up to now is 79.3 secs Computing kpt #: 274 total cpu time spent up to now is 79.6 secs Computing kpt #: 275 total cpu time spent up to now is 79.9 secs Computing kpt #: 276 total cpu time spent up to now is 80.2 secs Computing kpt #: 277 total cpu time spent up to now is 80.5 secs Computing kpt #: 278 total cpu time spent up to now is 80.8 secs Computing kpt #: 279 total cpu time spent up to now is 81.1 secs Computing kpt #: 280 total cpu time spent up to now is 81.4 secs Computing kpt #: 281 total cpu time spent up to now is 81.7 secs Computing kpt #: 282 total cpu time spent up to now is 82.0 secs Computing kpt #: 283 total cpu time spent up to now is 82.3 secs Computing kpt #: 284 total cpu time spent up to now is 82.6 secs Computing kpt #: 285 total cpu time spent up to now is 82.9 secs Computing kpt #: 286 total cpu time spent up to now is 83.1 secs Computing kpt #: 287 total cpu time spent up to now is 83.5 secs Computing kpt #: 288 total cpu time spent up to now is 83.8 secs Computing kpt #: 289 total cpu time spent up to now is 84.1 secs Computing kpt #: 290 total cpu time spent up to now is 84.4 secs Computing kpt #: 291 total cpu time spent up to now is 84.7 secs Computing kpt #: 292 total cpu time spent up to now is 85.0 secs Computing kpt #: 293 total cpu time spent up to now is 85.2 secs Computing kpt #: 294 total cpu time spent up to now is 85.5 secs Computing kpt #: 295 total cpu time spent up to now is 85.9 secs Computing kpt #: 296 total cpu time spent up to now is 86.2 secs Computing kpt #: 297 total cpu time spent up to now is 86.5 secs Computing kpt #: 298 total cpu time spent up to now is 86.8 secs Computing kpt #: 299 total cpu time spent up to now is 87.1 secs Computing kpt #: 300 total cpu time spent up to now is 87.4 secs Computing kpt #: 301 total cpu time spent up to now is 87.7 secs Computing kpt #: 302 total cpu time spent up to now is 88.0 secs Computing kpt #: 303 total cpu time spent up to now is 88.3 secs Computing kpt #: 304 total cpu time spent up to now is 88.6 secs Computing kpt #: 305 total cpu time spent up to now is 88.8 secs Computing kpt #: 306 total cpu time spent up to now is 89.1 secs Computing kpt #: 307 total cpu time spent up to now is 89.4 secs Computing kpt #: 308 total cpu time spent up to now is 89.7 secs Computing kpt #: 309 total cpu time spent up to now is 90.0 secs Computing kpt #: 310 total cpu time spent up to now is 90.3 secs Computing kpt #: 311 total cpu time spent up to now is 90.6 secs Computing kpt #: 312 total cpu time spent up to now is 90.9 secs Computing kpt #: 313 total cpu time spent up to now is 91.1 secs Computing kpt #: 314 total cpu time spent up to now is 91.4 secs Computing kpt #: 315 total cpu time spent up to now is 91.7 secs Computing kpt #: 316 total cpu time spent up to now is 92.0 secs Computing kpt #: 317 total cpu time spent up to now is 92.3 secs Computing kpt #: 318 total cpu time spent up to now is 92.6 secs Computing kpt #: 319 total cpu time spent up to now is 92.9 secs Computing kpt #: 320 total cpu time spent up to now is 93.2 secs Computing kpt #: 321 total cpu time spent up to now is 93.4 secs Computing kpt #: 322 total cpu time spent up to now is 93.7 secs Computing kpt #: 323 total cpu time spent up to now is 94.0 secs Computing kpt #: 324 total cpu time spent up to now is 94.3 secs Computing kpt #: 325 total cpu time spent up to now is 94.5 secs Computing kpt #: 326 total cpu time spent up to now is 94.8 secs Computing kpt #: 327 total cpu time spent up to now is 95.1 secs Computing kpt #: 328 total cpu time spent up to now is 95.3 secs Computing kpt #: 329 total cpu time spent up to now is 95.6 secs Computing kpt #: 330 total cpu time spent up to now is 95.8 secs Computing kpt #: 331 total cpu time spent up to now is 96.1 secs Computing kpt #: 332 total cpu time spent up to now is 96.3 secs Computing kpt #: 333 total cpu time spent up to now is 96.6 secs Computing kpt #: 334 total cpu time spent up to now is 96.8 secs Computing kpt #: 335 total cpu time spent up to now is 97.1 secs Computing kpt #: 336 total cpu time spent up to now is 97.3 secs Computing kpt #: 337 total cpu time spent up to now is 97.6 secs Computing kpt #: 338 total cpu time spent up to now is 97.8 secs Computing kpt #: 339 total cpu time spent up to now is 98.1 secs Computing kpt #: 340 total cpu time spent up to now is 98.3 secs Computing kpt #: 341 total cpu time spent up to now is 98.6 secs Computing kpt #: 342 total cpu time spent up to now is 98.9 secs Computing kpt #: 343 total cpu time spent up to now is 99.1 secs Computing kpt #: 344 total cpu time spent up to now is 99.4 secs Computing kpt #: 345 total cpu time spent up to now is 99.6 secs Computing kpt #: 346 total cpu time spent up to now is 99.9 secs Computing kpt #: 347 total cpu time spent up to now is 100.1 secs Computing kpt #: 348 total cpu time spent up to now is 100.4 secs Computing kpt #: 349 total cpu time spent up to now is 100.6 secs Computing kpt #: 350 total cpu time spent up to now is 100.9 secs Computing kpt #: 351 total cpu time spent up to now is 101.1 secs Computing kpt #: 352 total cpu time spent up to now is 101.4 secs Computing kpt #: 353 total cpu time spent up to now is 101.6 secs Computing kpt #: 354 total cpu time spent up to now is 101.9 secs Computing kpt #: 355 total cpu time spent up to now is 102.1 secs Computing kpt #: 356 total cpu time spent up to now is 102.4 secs Computing kpt #: 357 total cpu time spent up to now is 102.6 secs Computing kpt #: 358 total cpu time spent up to now is 102.9 secs Computing kpt #: 359 total cpu time spent up to now is 103.2 secs Computing kpt #: 360 total cpu time spent up to now is 103.4 secs Computing kpt #: 361 total cpu time spent up to now is 103.7 secs Computing kpt #: 362 total cpu time spent up to now is 103.9 secs Computing kpt #: 363 total cpu time spent up to now is 104.2 secs Computing kpt #: 364 total cpu time spent up to now is 104.5 secs Computing kpt #: 365 total cpu time spent up to now is 104.7 secs Computing kpt #: 366 total cpu time spent up to now is 105.0 secs Computing kpt #: 367 total cpu time spent up to now is 105.2 secs Computing kpt #: 368 total cpu time spent up to now is 105.5 secs Computing kpt #: 369 total cpu time spent up to now is 105.7 secs Computing kpt #: 370 total cpu time spent up to now is 106.0 secs Computing kpt #: 371 total cpu time spent up to now is 106.2 secs Computing kpt #: 372 total cpu time spent up to now is 106.5 secs Computing kpt #: 373 total cpu time spent up to now is 106.8 secs Computing kpt #: 374 total cpu time spent up to now is 107.0 secs Computing kpt #: 375 total cpu time spent up to now is 107.3 secs Computing kpt #: 376 total cpu time spent up to now is 107.5 secs Computing kpt #: 377 total cpu time spent up to now is 107.8 secs Computing kpt #: 378 total cpu time spent up to now is 108.0 secs Computing kpt #: 379 total cpu time spent up to now is 108.3 secs Computing kpt #: 380 total cpu time spent up to now is 108.5 secs Computing kpt #: 381 total cpu time spent up to now is 108.8 secs Computing kpt #: 382 total cpu time spent up to now is 109.0 secs Computing kpt #: 383 total cpu time spent up to now is 109.3 secs Computing kpt #: 384 total cpu time spent up to now is 109.5 secs Computing kpt #: 385 total cpu time spent up to now is 109.8 secs Computing kpt #: 386 total cpu time spent up to now is 110.0 secs Computing kpt #: 387 total cpu time spent up to now is 110.3 secs Computing kpt #: 388 total cpu time spent up to now is 110.5 secs Computing kpt #: 389 total cpu time spent up to now is 110.8 secs Computing kpt #: 390 total cpu time spent up to now is 111.0 secs Computing kpt #: 391 total cpu time spent up to now is 111.3 secs Computing kpt #: 392 total cpu time spent up to now is 111.5 secs Computing kpt #: 393 total cpu time spent up to now is 111.8 secs Computing kpt #: 394 total cpu time spent up to now is 112.0 secs Computing kpt #: 395 total cpu time spent up to now is 112.3 secs Computing kpt #: 396 total cpu time spent up to now is 112.5 secs Computing kpt #: 397 total cpu time spent up to now is 112.8 secs Computing kpt #: 398 total cpu time spent up to now is 113.0 secs Computing kpt #: 399 total cpu time spent up to now is 113.3 secs Computing kpt #: 400 total cpu time spent up to now is 113.5 secs Computing kpt #: 401 total cpu time spent up to now is 113.8 secs Computing kpt #: 402 total cpu time spent up to now is 114.0 secs Computing kpt #: 403 total cpu time spent up to now is 114.3 secs Computing kpt #: 404 total cpu time spent up to now is 114.5 secs Computing kpt #: 405 total cpu time spent up to now is 114.8 secs Computing kpt #: 406 total cpu time spent up to now is 115.1 secs Computing kpt #: 407 total cpu time spent up to now is 115.4 secs Computing kpt #: 408 total cpu time spent up to now is 115.7 secs Computing kpt #: 409 total cpu time spent up to now is 115.9 secs Computing kpt #: 410 total cpu time spent up to now is 116.2 secs Computing kpt #: 411 total cpu time spent up to now is 116.5 secs Computing kpt #: 412 total cpu time spent up to now is 116.8 secs Computing kpt #: 413 total cpu time spent up to now is 117.1 secs Computing kpt #: 414 total cpu time spent up to now is 117.4 secs Computing kpt #: 415 total cpu time spent up to now is 117.6 secs Computing kpt #: 416 total cpu time spent up to now is 117.9 secs Computing kpt #: 417 total cpu time spent up to now is 118.2 secs Computing kpt #: 418 total cpu time spent up to now is 118.4 secs Computing kpt #: 419 total cpu time spent up to now is 118.7 secs Computing kpt #: 420 total cpu time spent up to now is 119.0 secs Computing kpt #: 421 total cpu time spent up to now is 119.3 secs Computing kpt #: 422 total cpu time spent up to now is 119.5 secs Computing kpt #: 423 total cpu time spent up to now is 119.8 secs Computing kpt #: 424 total cpu time spent up to now is 120.1 secs Computing kpt #: 425 total cpu time spent up to now is 120.3 secs Computing kpt #: 426 total cpu time spent up to now is 120.6 secs Computing kpt #: 427 total cpu time spent up to now is 120.9 secs Computing kpt #: 428 total cpu time spent up to now is 121.2 secs Computing kpt #: 429 total cpu time spent up to now is 121.5 secs Computing kpt #: 430 total cpu time spent up to now is 121.8 secs Computing kpt #: 431 total cpu time spent up to now is 122.1 secs Computing kpt #: 432 total cpu time spent up to now is 122.4 secs Computing kpt #: 433 total cpu time spent up to now is 122.6 secs Computing kpt #: 434 total cpu time spent up to now is 122.9 secs Computing kpt #: 435 total cpu time spent up to now is 123.2 secs Computing kpt #: 436 total cpu time spent up to now is 123.5 secs Computing kpt #: 437 total cpu time spent up to now is 123.8 secs Computing kpt #: 438 total cpu time spent up to now is 124.1 secs Computing kpt #: 439 total cpu time spent up to now is 124.4 secs Computing kpt #: 440 total cpu time spent up to now is 124.7 secs Computing kpt #: 441 total cpu time spent up to now is 125.0 secs Computing kpt #: 442 total cpu time spent up to now is 125.3 secs Computing kpt #: 443 total cpu time spent up to now is 125.5 secs Computing kpt #: 444 total cpu time spent up to now is 125.8 secs Computing kpt #: 445 total cpu time spent up to now is 126.1 secs Computing kpt #: 446 total cpu time spent up to now is 126.4 secs Computing kpt #: 447 total cpu time spent up to now is 126.7 secs Computing kpt #: 448 total cpu time spent up to now is 127.0 secs ethr = 3.13E-08, avg # of iterations = 15.7 total cpu time spent up to now is 127.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3719 PWs) bands (ev): -17.1317 -17.1317 -15.2585 -15.2585 -10.1804 -10.1804 -10.0836 -10.0836 -4.0805 -4.0805 -3.2323 -3.2323 -1.8048 -1.8048 -1.3219 -1.3219 -0.7797 -0.7797 0.0031 0.0031 1.0290 1.0290 2.2231 2.2231 2.3238 2.3238 2.8951 2.8951 3.0061 3.0061 3.0167 3.0167 6.6947 6.6947 7.2105 7.2105 10.1273 10.1273 10.3440 10.3440 k = 0.0114-0.0000-0.0000 ( 3715 PWs) bands (ev): -17.1311 -17.1311 -15.2590 -15.2590 -10.1801 -10.1801 -10.0833 -10.0833 -4.0797 -4.0797 -3.2331 -3.2331 -1.8042 -1.8042 -1.3228 -1.3228 -0.7846 -0.7846 0.0057 0.0057 1.0295 1.0295 2.2197 2.2197 2.3212 2.3212 2.8948 2.8948 3.0063 3.0063 3.0167 3.0167 6.6991 6.6991 7.2145 7.2145 10.1318 10.1318 10.3475 10.3475 k = 0.0227-0.0000-0.0000 ( 3715 PWs) bands (ev): -17.1292 -17.1292 -15.2606 -15.2606 -10.1792 -10.1792 -10.0825 -10.0825 -4.0774 -4.0774 -3.2352 -3.2352 -1.8022 -1.8022 -1.3257 -1.3257 -0.7992 -0.7992 0.0131 0.0131 1.0309 1.0309 2.2098 2.2098 2.3132 2.3132 2.8940 2.8940 3.0069 3.0069 3.0166 3.0166 6.7124 6.7124 7.2262 7.2262 10.1450 10.1450 10.3580 10.3580 k = 0.0341-0.0000-0.0000 ( 3711 PWs) bands (ev): -17.1262 -17.1262 -15.2632 -15.2632 -10.1777 -10.1777 -10.0812 -10.0812 -4.0736 -4.0736 -3.2388 -3.2388 -1.7990 -1.7990 -1.3304 -1.3304 -0.8228 -0.8228 0.0246 0.0246 1.0334 1.0334 2.1936 2.1936 2.3000 2.3000 2.8928 2.8928 3.0079 3.0079 3.0166 3.0166 6.7343 6.7343 7.2456 7.2456 10.1671 10.1671 10.3752 10.3752 k = 0.0455-0.0000-0.0000 ( 3711 PWs) bands (ev): -17.1219 -17.1219 -15.2669 -15.2669 -10.1756 -10.1756 -10.0793 -10.0793 -4.0682 -4.0682 -3.2437 -3.2437 -1.7946 -1.7946 -1.3370 -1.3370 -0.8543 -0.8543 0.0390 0.0390 1.0367 1.0367 2.1715 2.1715 2.2819 2.2819 2.8910 2.8910 3.0092 3.0092 3.0166 3.0166 6.7644 6.7644 7.2726 7.2726 10.1978 10.1978 10.3989 10.3989 k = 0.0568-0.0000-0.0000 ( 3711 PWs) bands (ev): -17.1164 -17.1164 -15.2717 -15.2717 -10.1729 -10.1729 -10.0769 -10.0769 -4.0613 -4.0613 -3.2498 -3.2498 -1.7891 -1.7891 -1.3455 -1.3455 -0.8926 -0.8926 0.0553 0.0553 1.0411 1.0411 2.1441 2.1441 2.2590 2.2590 2.8886 2.8886 3.0109 3.0109 3.0166 3.0166 6.8024 6.8024 7.3069 7.3069 10.2371 10.2371 10.4288 10.4288 k = 0.0682-0.0000-0.0000 ( 3709 PWs) bands (ev): -17.1097 -17.1097 -15.2775 -15.2775 -10.1697 -10.1697 -10.0740 -10.0740 -4.0529 -4.0529 -3.2571 -3.2571 -1.7825 -1.7825 -1.3558 -1.3558 -0.9366 -0.9366 0.0721 0.0721 1.0463 1.0463 2.1121 2.1121 2.2318 2.2318 2.8857 2.8857 3.0129 3.0129 3.0166 3.0166 6.8477 6.8477 7.3482 7.3482 10.2847 10.2847 10.4642 10.4642 k = 0.0795-0.0000-0.0000 ( 3713 PWs) bands (ev): -17.1019 -17.1019 -15.2844 -15.2844 -10.1659 -10.1659 -10.0706 -10.0706 -4.0430 -4.0430 -3.2653 -3.2653 -1.7749 -1.7749 -1.3681 -1.3681 -0.9854 -0.9854 0.0884 0.0884 1.0524 1.0524 2.0764 2.0764 2.2005 2.2005 2.8822 2.8822 3.0153 3.0153 3.0167 3.0167 6.8998 6.8998 7.3963 7.3963 10.3403 10.3403 10.5046 10.5046 k = 0.0909-0.0000-0.0000 ( 3717 PWs) bands (ev): -17.0928 -17.0928 -15.2924 -15.2924 -10.1615 -10.1615 -10.0667 -10.0667 -4.0316 -4.0316 -3.2745 -3.2745 -1.7665 -1.7665 -1.3821 -1.3821 -1.0382 -1.0382 0.1032 0.1032 1.0592 1.0592 2.0378 2.0378 2.1656 2.1656 2.8781 2.8781 3.0167 3.0167 3.0183 3.0183 6.9579 6.9579 7.4506 7.4506 10.4037 10.4037 10.5490 10.5490 k = 0.1023-0.0000-0.0000 ( 3717 PWs) bands (ev): -17.0825 -17.0825 -15.3014 -15.3014 -10.1566 -10.1566 -10.0624 -10.0624 -4.0187 -4.0187 -3.2843 -3.2843 -1.7574 -1.7574 -1.3980 -1.3980 -1.0941 -1.0941 0.1155 0.1155 1.0669 1.0669 1.9973 1.9973 2.1277 2.1277 2.8735 2.8735 3.0169 3.0169 3.0213 3.0213 7.0215 7.0215 7.5108 7.5108 10.4744 10.4744 10.5965 10.5965 k = 0.1136-0.0000-0.0000 ( 3715 PWs) bands (ev): -17.0711 -17.0711 -15.3114 -15.3114 -10.1512 -10.1512 -10.0576 -10.0576 -4.0043 -4.0043 -3.2946 -3.2946 -1.7477 -1.7477 -1.4157 -1.4157 -1.1526 -1.1526 0.1246 0.1246 1.0751 1.0751 1.9560 1.9560 2.0870 2.0870 2.8681 2.8681 3.0173 3.0173 3.0247 3.0247 7.0899 7.0899 7.5765 7.5765 10.5518 10.5518 10.6460 10.6460 k = 0.1250-0.0000-0.0000 ( 3705 PWs) bands (ev): -17.0586 -17.0586 -15.3225 -15.3225 -10.1453 -10.1453 -10.0524 -10.0524 -3.9885 -3.9885 -3.3053 -3.3053 -1.7374 -1.7374 -1.4352 -1.4352 -1.2133 -1.2133 0.1298 0.1298 1.0838 1.0838 1.9147 1.9147 2.0442 2.0442 2.8622 2.8622 3.0178 3.0178 3.0284 3.0284 7.1624 7.1624 7.6473 7.6473 10.6351 10.6351 10.6960 10.6960 k = 0.1364-0.0000-0.0000 ( 3701 PWs) bands (ev): -17.0449 -17.0449 -15.3346 -15.3346 -10.1389 -10.1389 -10.0468 -10.0468 -3.9711 -3.9711 -3.3163 -3.3163 -1.7269 -1.7269 -1.4565 -1.4565 -1.2757 -1.2757 0.1304 0.1304 1.0929 1.0929 1.8746 1.8746 1.9997 1.9997 2.8555 2.8555 3.0184 3.0184 3.0324 3.0324 7.2384 7.2384 7.7225 7.7225 10.7221 10.7221 10.7457 10.7457 k = 0.1477-0.0000-0.0000 ( 3697 PWs) bands (ev): -17.0300 -17.0300 -15.3478 -15.3478 -10.1321 -10.1321 -10.0409 -10.0409 -3.9523 -3.9523 -3.3272 -3.3272 -1.7160 -1.7160 -1.4796 -1.4796 -1.3394 -1.3394 0.1260 0.1260 1.1022 1.1022 1.8366 1.8366 1.9541 1.9541 2.8481 2.8481 3.0193 3.0193 3.0366 3.0366 7.3172 7.3172 7.8017 7.8017 10.7884 10.7884 10.8153 10.8153 k = 0.1591-0.0000-0.0000 ( 3695 PWs) bands (ev): -17.0141 -17.0141 -15.3619 -15.3619 -10.1248 -10.1248 -10.0346 -10.0346 -3.9321 -3.9321 -3.3380 -3.3380 -1.7051 -1.7051 -1.5044 -1.5044 -1.4040 -1.4040 0.1161 0.1161 1.1114 1.1114 1.8014 1.8014 1.9078 1.9078 2.8401 2.8401 3.0203 3.0203 3.0410 3.0410 7.3982 7.3982 7.8843 7.8843 10.8304 10.8304 10.9007 10.9007 k = 0.1705-0.0000-0.0000 ( 3691 PWs) bands (ev): -16.9971 -16.9971 -15.3771 -15.3771 -10.1172 -10.1172 -10.0281 -10.0281 -3.9105 -3.9105 -3.3485 -3.3485 -1.6941 -1.6941 -1.5309 -1.5309 -1.4694 -1.4694 0.1006 0.1006 1.1204 1.1204 1.7697 1.7697 1.8616 1.8616 2.8312 2.8312 3.0216 3.0216 3.0457 3.0457 7.4808 7.4808 7.9696 7.9696 10.8655 10.8655 10.9680 10.9680 k = 0.1818-0.0000-0.0000 ( 3693 PWs) bands (ev): -16.9791 -16.9791 -15.3933 -15.3933 -10.1091 -10.1091 -10.0213 -10.0213 -3.8874 -3.8874 -3.3586 -3.3586 -1.6832 -1.6832 -1.5596 -1.5596 -1.5347 -1.5347 0.0791 0.0791 1.1290 1.1290 1.7416 1.7416 1.8164 1.8164 2.8217 2.8217 3.0231 3.0231 3.0505 3.0505 7.5643 7.5643 8.0571 8.0571 10.8928 10.8928 10.9912 10.9912 k = 0.1932-0.0000-0.0000 ( 3703 PWs) bands (ev): -16.9599 -16.9599 -15.4105 -15.4105 -10.1008 -10.1008 -10.0143 -10.0143 -3.8630 -3.8630 -3.3680 -3.3680 -1.6727 -1.6727 -1.6036 -1.6036 -1.5863 -1.5863 0.0519 0.0519 1.1370 1.1370 1.7160 1.7160 1.7740 1.7740 2.8113 2.8113 3.0249 3.0249 3.0554 3.0554 7.6483 7.6483 8.1460 8.1460 10.9115 10.9115 10.9701 10.9701 k = 0.2045-0.0000-0.0000 ( 3693 PWs) bands (ev): -16.9398 -16.9398 -15.4287 -15.4287 -10.0921 -10.0921 -10.0070 -10.0070 -3.8372 -3.8372 -3.3767 -3.3767 -1.6726 -1.6726 -1.6587 -1.6587 -1.6184 -1.6184 0.0189 0.0189 1.1443 1.1443 1.6889 1.6889 1.7391 1.7391 2.8002 2.8002 3.0269 3.0269 3.0604 3.0604 7.7320 7.7320 8.2356 8.2356 10.9144 10.9144 10.9369 10.9369 k = 0.2159-0.0000-0.0000 ( 3693 PWs) bands (ev): -16.9187 -16.9187 -15.4479 -15.4479 -10.0832 -10.0832 -9.9997 -9.9997 -3.8100 -3.8100 -3.3845 -3.3845 -1.7360 -1.7360 -1.6568 -1.6568 -1.6456 -1.6456 -0.0193 -0.0193 1.1508 1.1508 1.6550 1.6550 1.7174 1.7174 2.7883 2.7883 3.0292 3.0292 3.0656 3.0656 7.8150 7.8150 8.3249 8.3249 10.8762 10.8762 10.9332 10.9332 k = 0.2273-0.0000-0.0000 ( 3697 PWs) bands (ev): -16.8966 -16.8966 -15.4680 -15.4680 -10.0741 -10.0741 -9.9922 -9.9922 -3.7816 -3.7816 -3.3913 -3.3913 -1.8018 -1.8018 -1.6871 -1.6871 -1.6396 -1.6396 -0.0626 -0.0626 1.1566 1.1566 1.6159 1.6159 1.7074 1.7074 2.7756 2.7756 3.0318 3.0318 3.0707 3.0707 7.8965 7.8965 8.4131 8.4131 10.8312 10.8312 10.9321 10.9321 k = 0.2386-0.0000-0.0000 ( 3703 PWs) bands (ev): -16.8736 -16.8736 -15.4890 -15.4890 -10.0647 -10.0647 -9.9847 -9.9847 -3.7518 -3.7518 -3.3970 -3.3970 -1.8675 -1.8675 -1.7226 -1.7226 -1.6302 -1.6302 -0.1102 -0.1102 1.1616 1.1616 1.5756 1.5756 1.7051 1.7051 2.7620 2.7620 3.0346 3.0346 3.0758 3.0758 7.9761 7.9761 8.4990 8.4990 10.7892 10.7892 10.9285 10.9285 k = 0.2500-0.0000-0.0000 ( 3713 PWs) bands (ev): -16.8497 -16.8497 -15.5110 -15.5110 -10.0552 -10.0552 -9.9772 -9.9772 -3.7208 -3.7208 -3.4014 -3.4014 -1.9327 -1.9327 -1.7595 -1.7595 -1.6208 -1.6208 -0.1616 -0.1616 1.1659 1.1659 1.5359 1.5359 1.7084 1.7084 2.7477 2.7477 3.0377 3.0377 3.0809 3.0809 8.0530 8.0530 8.5815 8.5815 10.7523 10.7523 10.9238 10.9238 k = 0.2614-0.0000-0.0000 ( 3717 PWs) bands (ev): -16.8249 -16.8249 -15.5339 -15.5339 -10.0456 -10.0456 -9.9697 -9.9697 -3.6885 -3.6885 -3.4045 -3.4045 -1.9973 -1.9973 -1.7979 -1.7979 -1.6116 -1.6116 -0.2162 -0.2162 1.1696 1.1696 1.4978 1.4978 1.7162 1.7162 2.7326 2.7326 3.0411 3.0411 3.0860 3.0860 8.1267 8.1267 8.6596 8.6596 10.7216 10.7216 10.9202 10.9202 k = 0.2727-0.0000-0.0000 ( 3713 PWs) bands (ev): -16.7992 -16.7992 -15.5576 -15.5576 -10.0359 -10.0359 -9.9623 -9.9623 -3.6549 -3.6549 -3.4061 -3.4061 -2.0611 -2.0611 -1.8375 -1.8375 -1.6027 -1.6027 -0.2734 -0.2734 1.1728 1.1728 1.4614 1.4614 1.7279 1.7279 2.7166 2.7166 3.0447 3.0447 3.0909 3.0909 8.1967 8.1967 8.7319 8.7319 10.6977 10.6977 10.9196 10.9196 k = 0.2841-0.0000-0.0000 ( 3713 PWs) bands (ev): -16.7728 -16.7728 -15.5822 -15.5822 -10.0262 -10.0262 -9.9550 -9.9550 -3.6202 -3.6202 -3.4063 -3.4063 -2.1241 -2.1241 -1.8783 -1.8783 -1.5940 -1.5940 -0.3325 -0.3325 1.1756 1.1756 1.4272 1.4272 1.7427 1.7427 2.6999 2.6999 3.0485 3.0485 3.0957 3.0957 8.2625 8.2625 8.7973 8.7973 10.6813 10.6813 10.9236 10.9236 k = 0.2955-0.0000-0.0000 ( 3707 PWs) bands (ev): -16.7455 -16.7455 -15.6076 -15.6076 -10.0165 -10.0165 -9.9479 -9.9479 -3.5844 -3.5844 -3.4048 -3.4048 -2.1861 -2.1861 -1.9202 -1.9202 -1.5855 -1.5855 -0.3929 -0.3929 1.1780 1.1780 1.3951 1.3951 1.7602 1.7602 2.6824 2.6824 3.0525 3.0525 3.1003 3.1003 8.3236 8.3236 8.8548 8.8548 10.6727 10.6727 10.9337 10.9337 k = 0.3068-0.0000-0.0000 ( 3707 PWs) bands (ev): -16.7175 -16.7175 -15.6338 -15.6338 -10.0069 -10.0069 -9.9410 -9.9410 -3.5474 -3.5474 -3.4017 -3.4017 -2.2471 -2.2471 -1.9632 -1.9632 -1.5770 -1.5770 -0.4543 -0.4543 1.1800 1.1800 1.3655 1.3655 1.7800 1.7800 2.6640 2.6640 3.0568 3.0568 3.1048 3.1048 8.3798 8.3798 8.9036 8.9036 10.6722 10.6722 10.9509 10.9509 k = 0.3182-0.0000-0.0000 ( 3697 PWs) bands (ev): -16.6888 -16.6888 -15.6608 -15.6608 -9.9973 -9.9973 -9.9343 -9.9343 -3.5093 -3.5093 -3.3969 -3.3969 -2.3070 -2.3070 -2.0071 -2.0071 -1.5685 -1.5685 -0.5159 -0.5159 1.1817 1.1817 1.3382 1.3382 1.8018 1.8018 2.6449 2.6449 3.0611 3.0611 3.1089 3.1089 8.4308 8.4308 8.9432 8.9432 10.6800 10.6800 10.9755 10.9755 k = 0.3295-0.0000-0.0000 ( 3699 PWs) bands (ev): -16.6595 -16.6595 -15.6886 -15.6886 -9.9880 -9.9880 -9.9280 -9.9280 -3.4702 -3.4702 -3.3903 -3.3903 -2.3657 -2.3657 -2.0520 -2.0520 -1.5599 -1.5599 -0.5775 -0.5775 1.1831 1.1831 1.3134 1.3134 1.8251 1.8251 2.6250 2.6250 3.0657 3.0657 3.1129 3.1129 8.4766 8.4766 8.9734 8.9734 10.6957 10.6957 11.0075 11.0075 k = 0.3409-0.0000-0.0000 ( 3699 PWs) bands (ev): -16.6295 -16.6295 -15.7170 -15.7170 -9.9788 -9.9788 -9.9220 -9.9220 -3.4301 -3.4301 -3.3818 -3.3818 -2.4231 -2.4231 -2.0978 -2.0978 -1.5509 -1.5509 -0.6385 -0.6385 1.1841 1.1841 1.2909 1.2909 1.8497 1.8497 2.6043 2.6043 3.0703 3.0703 3.1165 3.1165 8.5174 8.5174 8.9946 8.9946 10.7192 10.7192 11.0462 11.0462 k = 0.3523-0.0000-0.0000 ( 3685 PWs) bands (ev): -16.5989 -16.5989 -15.7462 -15.7462 -9.9698 -9.9698 -9.9164 -9.9164 -3.3895 -3.3895 -3.3711 -3.3711 -2.4792 -2.4792 -2.1443 -2.1443 -1.5416 -1.5416 -0.6987 -0.6987 1.1848 1.1848 1.2709 1.2709 1.8754 1.8754 2.5829 2.5829 3.0750 3.0750 3.1198 3.1198 8.5534 8.5534 9.0074 9.0074 10.7500 10.7500 11.0904 11.0904 k = 0.3636-0.0000-0.0000 ( 3683 PWs) bands (ev): -16.5677 -16.5677 -15.7759 -15.7759 -9.9611 -9.9611 -9.9112 -9.9112 -3.3610 -3.3610 -3.3456 -3.3456 -2.5340 -2.5340 -2.1915 -2.1915 -1.5317 -1.5317 -0.7577 -0.7577 1.1852 1.1852 1.2531 1.2531 1.9020 1.9020 2.5608 2.5608 3.0797 3.0797 3.1227 3.1227 8.5851 8.5851 9.0125 9.0125 10.7873 10.7873 11.1386 11.1386 k = 0.3750-0.0000-0.0000 ( 3679 PWs) bands (ev): -16.5361 -16.5361 -15.8063 -15.8063 -9.9528 -9.9528 -9.9064 -9.9064 -3.3465 -3.3465 -3.3032 -3.3032 -2.5873 -2.5873 -2.2393 -2.2393 -1.5210 -1.5210 -0.8153 -0.8153 1.1853 1.1853 1.2375 1.2375 1.9294 1.9294 2.5380 2.5380 3.0844 3.0844 3.1253 3.1253 8.6130 8.6130 9.0112 9.0112 10.8303 10.8303 11.1887 11.1887 k = 0.3864-0.0000-0.0000 ( 3679 PWs) bands (ev): -16.5040 -16.5040 -15.8372 -15.8372 -9.9448 -9.9448 -9.9022 -9.9022 -3.3306 -3.3306 -3.2595 -3.2595 -2.6392 -2.6392 -2.2877 -2.2877 -1.5094 -1.5094 -0.8712 -0.8712 1.1851 1.1851 1.2241 1.2241 1.9573 1.9573 2.5145 2.5145 3.0891 3.0891 3.1275 3.1275 8.6376 8.6376 9.0043 9.0043 10.8782 10.8782 11.2389 11.2389 k = 0.3977-0.0000-0.0000 ( 3675 PWs) bands (ev): -16.4715 -16.4715 -15.8686 -15.8686 -9.9372 -9.9372 -9.8985 -9.8985 -3.3130 -3.3130 -3.2149 -3.2149 -2.6896 -2.6896 -2.3365 -2.3365 -1.4967 -1.4967 -0.9252 -0.9252 1.1845 1.1845 1.2127 1.2127 1.9858 1.9858 2.4903 2.4903 3.0937 3.0937 3.1293 3.1293 8.6595 8.6595 8.9931 8.9931 10.9299 10.9299 11.2870 11.2870 k = 0.4091-0.0000-0.0000 ( 3675 PWs) bands (ev): -16.4386 -16.4386 -15.9006 -15.9006 -9.9300 -9.9300 -9.8953 -9.8953 -3.2935 -3.2935 -3.1695 -3.1695 -2.7385 -2.7385 -2.3858 -2.3858 -1.4827 -1.4827 -0.9771 -0.9771 1.1837 1.1837 1.2031 1.2031 2.0146 2.0146 2.4654 2.4654 3.0982 3.0982 3.1307 3.1307 8.6794 8.6794 8.9784 8.9784 10.9843 10.9843 11.3309 11.3309 k = 0.4205-0.0000-0.0000 ( 3665 PWs) bands (ev): -16.4054 -16.4054 -15.9329 -15.9329 -9.9234 -9.9234 -9.8927 -9.8927 -3.2721 -3.2721 -3.1234 -3.1234 -2.7858 -2.7858 -2.4354 -2.4354 -1.4673 -1.4673 -1.0268 -1.0268 1.1827 1.1827 1.1953 1.1953 2.0437 2.0437 2.4400 2.4400 3.1025 3.1025 3.1316 3.1316 8.6978 8.6978 8.9612 8.9612 11.0404 11.0404 11.3688 11.3688 k = 0.4318-0.0000-0.0000 ( 3659 PWs) bands (ev): -16.3719 -16.3719 -15.9657 -15.9657 -9.9172 -9.9172 -9.8907 -9.8907 -3.2489 -3.2489 -3.0766 -3.0766 -2.8316 -2.8316 -2.4852 -2.4852 -1.4503 -1.4503 -1.0742 -1.0742 1.1815 1.1815 1.1890 1.1890 2.0729 2.0729 2.4140 2.4140 3.1067 3.1067 3.1321 3.1321 8.7153 8.7153 8.9423 8.9423 11.0970 11.0970 11.3990 11.3990 k = 0.4432-0.0000-0.0000 ( 3651 PWs) bands (ev): -16.3381 -16.3381 -15.9987 -15.9987 -9.9116 -9.9116 -9.8894 -9.8894 -3.2239 -3.2239 -3.0292 -3.0292 -2.8757 -2.8757 -2.5351 -2.5351 -1.4314 -1.4314 -1.1191 -1.1191 1.1801 1.1801 1.1842 1.1842 2.1023 2.1023 2.3875 2.3875 3.1107 3.1107 3.1322 3.1322 8.7323 8.7323 8.9222 8.9222 11.1529 11.1529 11.4204 11.4204 k = 0.4545-0.0000-0.0000 ( 3654 PWs) bands (ev): -16.3042 -16.3042 -16.0321 -16.0321 -9.9065 -9.9065 -9.8887 -9.8887 -3.1970 -3.1970 -2.9813 -2.9813 -2.9182 -2.9182 -2.5852 -2.5852 -1.4107 -1.4107 -1.1615 -1.1615 1.1787 1.1787 1.1807 1.1807 2.1317 2.1317 2.3605 2.3605 3.1144 3.1144 3.1318 3.1318 8.7492 8.7492 8.9016 8.9016 11.2069 11.2069 11.4321 11.4321 k = 0.4659-0.0000-0.0000 ( 3656 PWs) bands (ev): -16.2702 -16.2702 -16.0658 -16.0658 -9.9021 -9.9021 -9.8886 -9.8886 -3.1683 -3.1683 -2.9591 -2.9591 -2.9328 -2.9328 -2.6354 -2.6354 -1.3878 -1.3878 -1.2014 -1.2014 1.1773 1.1773 1.1784 1.1784 2.1610 2.1610 2.3330 2.3330 3.1178 3.1178 3.1310 3.1310 8.7662 8.7662 8.8808 8.8808 11.2579 11.2579 11.4336 11.4336 k = 0.4773-0.0000-0.0000 ( 3658 PWs) bands (ev): -16.2361 -16.2361 -16.0996 -16.0996 -9.8982 -9.8982 -9.8892 -9.8892 -3.1378 -3.1378 -2.9982 -2.9982 -2.8840 -2.8840 -2.6854 -2.6854 -1.3628 -1.3628 -1.2387 -1.2387 1.1761 1.1761 1.1769 1.1769 2.1903 2.1903 2.3051 2.3051 3.1209 3.1209 3.1298 3.1298 8.7838 8.7838 8.8603 8.8603 11.3046 11.3046 11.4252 11.4252 k = 0.4886-0.0000-0.0000 ( 3658 PWs) bands (ev): -16.2019 -16.2019 -16.1336 -16.1336 -9.8950 -9.8950 -9.8905 -9.8905 -3.1055 -3.1055 -3.0357 -3.0357 -2.8347 -2.8347 -2.7354 -2.7354 -1.3354 -1.3354 -1.2734 -1.2734 1.1755 1.1755 1.1760 1.1760 2.2194 2.2194 2.2768 2.2768 3.1237 3.1237 3.1282 3.1282 8.8019 8.8019 8.8402 8.8402 11.3459 11.3459 11.4072 11.4072 k = 0.5000-0.0000-0.0000 ( 3662 PWs) bands (ev): -16.1677 -16.1677 -16.1677 -16.1677 -9.8924 -9.8924 -9.8924 -9.8924 -3.0715 -3.0715 -3.0715 -3.0715 -2.7852 -2.7852 -2.7852 -2.7852 -1.3057 -1.3057 -1.3057 -1.3057 1.1755 1.1755 1.1755 1.1755 2.2482 2.2482 2.2482 2.2482 3.1261 3.1261 3.1261 3.1261 8.8207 8.8207 8.8207 8.8207 11.3804 11.3804 11.3804 11.3804 k = 0.5000-0.0000-0.0000 ( 3662 PWs) bands (ev): -16.1677 -16.1677 -16.1677 -16.1677 -9.8924 -9.8924 -9.8924 -9.8924 -3.0715 -3.0715 -3.0715 -3.0715 -2.7852 -2.7852 -2.7852 -2.7852 -1.3057 -1.3057 -1.3057 -1.3057 1.1755 1.1755 1.1755 1.1755 2.2482 2.2482 2.2482 2.2482 3.1261 3.1261 3.1261 3.1261 8.8207 8.8207 8.8207 8.8207 11.3804 11.3804 11.3804 11.3804 k = 0.5000 0.0113-0.0000 ( 3658 PWs) bands (ev): -16.1674 -16.1674 -16.1674 -16.1674 -9.8922 -9.8922 -9.8922 -9.8922 -3.0856 -3.0856 -3.0852 -3.0852 -2.7745 -2.7745 -2.7735 -2.7735 -1.3029 -1.3029 -1.3022 -1.3022 1.1742 1.1742 1.1746 1.1746 2.2482 2.2482 2.2485 2.2485 3.1239 3.1239 3.1247 3.1247 8.8219 8.8219 8.8220 8.8220 11.3802 11.3802 11.3805 11.3805 k = 0.5000 0.0227-0.0000 ( 3654 PWs) bands (ev): -16.1666 -16.1666 -16.1666 -16.1666 -9.8915 -9.8915 -9.8915 -9.8915 -3.1222 -3.1222 -3.1218 -3.1218 -2.7464 -2.7464 -2.7446 -2.7446 -1.2941 -1.2941 -1.2926 -1.2926 1.1708 1.1708 1.1715 1.1715 2.2484 2.2484 2.2491 2.2491 3.1179 3.1179 3.1195 3.1195 8.8257 8.8257 8.8259 8.8259 11.3797 11.3797 11.3804 11.3804 k = 0.5000 0.0340-0.0000 ( 3658 PWs) bands (ev): -16.1652 -16.1652 -16.1652 -16.1652 -9.8903 -9.8903 -9.8903 -9.8903 -3.1730 -3.1730 -3.1726 -3.1726 -2.7093 -2.7093 -2.7068 -2.7068 -1.2792 -1.2792 -1.2770 -1.2770 1.1653 1.1653 1.1663 1.1663 2.2488 2.2488 2.2499 2.2499 3.1083 3.1083 3.1108 3.1108 8.8319 8.8319 8.8322 8.8322 11.3789 11.3789 11.3799 11.3799 k = 0.5000 0.0453-0.0000 ( 3654 PWs) bands (ev): -16.1633 -16.1633 -16.1632 -16.1632 -9.8886 -9.8886 -9.8886 -9.8886 -3.2322 -3.2322 -3.2320 -3.2320 -2.6686 -2.6686 -2.6656 -2.6656 -1.2587 -1.2587 -1.2558 -1.2558 1.1577 1.1577 1.1590 1.1590 2.2494 2.2494 2.2510 2.2510 3.0952 3.0952 3.0985 3.0985 8.8407 8.8407 8.8411 8.8411 11.3777 11.3777 11.3790 11.3790 k = 0.5000 0.0567-0.0000 ( 3664 PWs) bands (ev): -16.1608 -16.1608 -16.1607 -16.1607 -9.8865 -9.8865 -9.8865 -9.8865 -3.2967 -3.2967 -3.2967 -3.2967 -2.6271 -2.6271 -2.6237 -2.6237 -1.2328 -1.2328 -1.2293 -1.2293 1.1480 1.1480 1.1496 1.1496 2.2503 2.2503 2.2523 2.2523 3.0786 3.0786 3.0827 3.0827 8.8520 8.8520 8.8525 8.8525 11.3757 11.3757 11.3773 11.3773 k = 0.5000 0.0680-0.0000 ( 3660 PWs) bands (ev): -16.1578 -16.1578 -16.1577 -16.1577 -9.8839 -9.8839 -9.8839 -9.8839 -3.3650 -3.3650 -3.3649 -3.3649 -2.5861 -2.5861 -2.5823 -2.5823 -1.2021 -1.2021 -1.1980 -1.1980 1.1363 1.1363 1.1381 1.1381 2.2514 2.2514 2.2539 2.2539 3.0587 3.0587 3.0637 3.0637 8.8657 8.8657 8.8663 8.8663 11.3729 11.3729 11.3747 11.3747 k = 0.5000 0.0793-0.0000 ( 3668 PWs) bands (ev): -16.1542 -16.1542 -16.1541 -16.1541 -9.8809 -9.8809 -9.8808 -9.8808 -3.4360 -3.4360 -3.4357 -3.4357 -2.5461 -2.5461 -2.5420 -2.5420 -1.1671 -1.1671 -1.1623 -1.1623 1.1225 1.1225 1.1246 1.1246 2.2527 2.2527 2.2557 2.2557 3.0358 3.0358 3.0417 3.0417 8.8818 8.8818 8.8825 8.8825 11.3690 11.3690 11.3710 11.3710 k = 0.5000 0.0907-0.0000 ( 3672 PWs) bands (ev): -16.1502 -16.1502 -16.1501 -16.1501 -9.8774 -9.8774 -9.8774 -9.8774 -3.5088 -3.5088 -3.5084 -3.5084 -2.5073 -2.5073 -2.5029 -2.5029 -1.1283 -1.1283 -1.1230 -1.1230 1.1069 1.1069 1.1092 1.1092 2.2541 2.2541 2.2577 2.2577 3.0100 3.0100 3.0168 3.0168 8.9002 8.9002 8.9010 8.9010 11.3637 11.3637 11.3658 11.3658 k = 0.5000 0.1020-0.0000 ( 3676 PWs) bands (ev): -16.1457 -16.1457 -16.1455 -16.1455 -9.8735 -9.8735 -9.8735 -9.8735 -3.5831 -3.5831 -3.5824 -3.5824 -2.4697 -2.4697 -2.4650 -2.4650 -1.0863 -1.0863 -1.0805 -1.0805 1.0894 1.0894 1.0920 1.0920 2.2557 2.2557 2.2599 2.2599 2.9815 2.9815 2.9893 2.9893 8.9210 8.9210 8.9219 8.9219 11.3568 11.3568 11.3591 11.3591 k = 0.5000 0.1133-0.0000 ( 3680 PWs) bands (ev): -16.1407 -16.1407 -16.1405 -16.1405 -9.8693 -9.8693 -9.8692 -9.8692 -3.6582 -3.6582 -3.6575 -3.6575 -2.4332 -2.4332 -2.4281 -2.4281 -1.0418 -1.0418 -1.0355 -1.0355 1.0702 1.0702 1.0730 1.0730 2.2574 2.2574 2.2622 2.2622 2.9506 2.9506 2.9594 2.9594 8.9440 8.9440 8.9450 8.9450 11.3483 11.3483 11.3506 11.3506 k = 0.5000 0.1247-0.0000 ( 3676 PWs) bands (ev): -16.1352 -16.1352 -16.1351 -16.1351 -9.8646 -9.8646 -9.8646 -9.8646 -3.7340 -3.7340 -3.7331 -3.7331 -2.3975 -2.3975 -2.3921 -2.3921 -0.9954 -0.9954 -0.9885 -0.9885 1.0494 1.0494 1.0523 1.0523 2.2591 2.2591 2.2648 2.2648 2.9175 2.9175 2.9274 2.9274 8.9692 8.9692 8.9703 8.9703 11.3380 11.3380 11.3403 11.3403 k = 0.5000 0.1360-0.0000 ( 3676 PWs) bands (ev): -16.1294 -16.1294 -16.1292 -16.1292 -9.8596 -9.8596 -9.8595 -9.8595 -3.8100 -3.8100 -3.8090 -3.8090 -2.3624 -2.3624 -2.3568 -2.3568 -0.9476 -0.9476 -0.9402 -0.9402 1.0271 1.0271 1.0301 1.0301 2.2609 2.2609 2.2675 2.2675 2.8825 2.8825 2.8936 2.8936 8.9964 8.9964 8.9976 8.9976 11.3258 11.3258 11.3281 11.3281 k = 0.5000 0.1473-0.0000 ( 3672 PWs) bands (ev): -16.1232 -16.1232 -16.1230 -16.1230 -9.8543 -9.8543 -9.8542 -9.8542 -3.8861 -3.8861 -3.8850 -3.8850 -2.3278 -2.3278 -2.3220 -2.3220 -0.8990 -0.8990 -0.8912 -0.8912 1.0035 1.0035 1.0065 1.0065 2.2628 2.2628 2.2703 2.2703 2.8459 2.8459 2.8583 2.8583 9.0257 9.0257 9.0270 9.0270 11.3118 11.3118 11.3141 11.3141 k = 0.5000 0.1587-0.0000 ( 3664 PWs) bands (ev): -16.1166 -16.1166 -16.1163 -16.1163 -9.8486 -9.8486 -9.8485 -9.8485 -3.9618 -3.9618 -3.9607 -3.9607 -2.2934 -2.2934 -2.2874 -2.2874 -0.8502 -0.8502 -0.8419 -0.8419 0.9787 0.9787 0.9818 0.9818 2.2645 2.2645 2.2733 2.2733 2.8079 2.8079 2.8217 2.8217 9.0570 9.0570 9.0584 9.0584 11.2961 11.2961 11.2983 11.2983 k = 0.5000 0.1700-0.0000 ( 3660 PWs) bands (ev): -16.1096 -16.1096 -16.1094 -16.1094 -9.8427 -9.8427 -9.8426 -9.8426 -4.0371 -4.0371 -4.0359 -4.0359 -2.2592 -2.2592 -2.2529 -2.2529 -0.8018 -0.8018 -0.7930 -0.7930 0.9530 0.9530 0.9561 0.9561 2.2662 2.2662 2.2763 2.2763 2.7688 2.7688 2.7842 2.7842 9.0900 9.0900 9.0915 9.0915 11.2787 11.2787 11.2807 11.2807 k = 0.5000 0.1813-0.0000 ( 3664 PWs) bands (ev): -16.1024 -16.1024 -16.1022 -16.1022 -9.8365 -9.8365 -9.8364 -9.8364 -4.1117 -4.1117 -4.1105 -4.1105 -2.2248 -2.2248 -2.2183 -2.2183 -0.7542 -0.7542 -0.7450 -0.7450 0.9267 0.9267 0.9296 0.9296 2.2676 2.2676 2.2793 2.2793 2.7289 2.7289 2.7460 2.7460 9.1248 9.1248 9.1264 9.1264 11.2597 11.2597 11.2615 11.2615 k = 0.5000 0.1926-0.0000 ( 3668 PWs) bands (ev): -16.0949 -16.0949 -16.0947 -16.0947 -9.8301 -9.8301 -9.8300 -9.8300 -4.1854 -4.1854 -4.1842 -4.1842 -2.1902 -2.1902 -2.1835 -2.1835 -0.7081 -0.7081 -0.6984 -0.6984 0.8999 0.8999 0.9026 0.9026 2.2688 2.2688 2.2824 2.2824 2.6883 2.6883 2.7075 2.7075 9.1612 9.1612 9.1630 9.1630 11.2391 11.2391 11.2408 11.2408 k = 0.5000 0.2040-0.0000 ( 3664 PWs) bands (ev): -16.0872 -16.0872 -16.0869 -16.0869 -9.8234 -9.8234 -9.8233 -9.8233 -4.2580 -4.2580 -4.2567 -4.2567 -2.1552 -2.1552 -2.1483 -2.1483 -0.6639 -0.6639 -0.6537 -0.6537 0.8730 0.8730 0.8755 0.8755 2.2696 2.2696 2.2854 2.2854 2.6475 2.6475 2.6690 2.6690 9.1991 9.1991 9.2010 9.2010 11.2172 11.2172 11.2187 11.2187 k = 0.5000 0.2153-0.0000 ( 3660 PWs) bands (ev): -16.0793 -16.0793 -16.0790 -16.0790 -9.8166 -9.8166 -9.8166 -9.8166 -4.3293 -4.3293 -4.3280 -4.3280 -2.1198 -2.1198 -2.1127 -2.1127 -0.6222 -0.6222 -0.6114 -0.6114 0.8463 0.8463 0.8486 0.8486 2.2699 2.2699 2.2884 2.2884 2.6066 2.6066 2.6308 2.6308 9.2384 9.2384 9.2404 9.2404 11.1940 11.1940 11.1953 11.1953 k = 0.5000 0.2266-0.0000 ( 3660 PWs) bands (ev): -16.0712 -16.0712 -16.0710 -16.0710 -9.8097 -9.8097 -9.8096 -9.8096 -4.3992 -4.3992 -4.3979 -4.3979 -2.0838 -2.0838 -2.0765 -2.0765 -0.5836 -0.5836 -0.5722 -0.5722 0.8203 0.8203 0.8223 0.8223 2.2695 2.2695 2.2913 2.2913 2.5658 2.5658 2.5934 2.5934 9.2789 9.2789 9.2810 9.2810 11.1696 11.1696 11.1706 11.1706 k = 0.5000 0.2380-0.0000 ( 3664 PWs) bands (ev): -16.0630 -16.0630 -16.0628 -16.0628 -9.8027 -9.8027 -9.8026 -9.8026 -4.4675 -4.4675 -4.4662 -4.4662 -2.0472 -2.0472 -2.0396 -2.0396 -0.5485 -0.5485 -0.5365 -0.5365 0.7954 0.7954 0.7970 0.7970 2.2681 2.2681 2.2941 2.2941 2.5255 2.5255 2.5572 2.5572 9.3206 9.3206 9.3227 9.3227 11.1439 11.1439 11.1447 11.1447 k = 0.5000 0.2493-0.0000 ( 3664 PWs) bands (ev): -16.0548 -16.0548 -16.0545 -16.0545 -9.7956 -9.7956 -9.7955 -9.7955 -4.5340 -4.5340 -4.5327 -4.5327 -2.0099 -2.0099 -2.0022 -2.0022 -0.5174 -0.5174 -0.5048 -0.5048 0.7720 0.7720 0.7730 0.7730 2.2655 2.2655 2.2966 2.2966 2.4858 2.4858 2.5226 2.5226 9.3631 9.3631 9.3654 9.3654 11.1171 11.1171 11.1177 11.1177 k = 0.5000 0.2606-0.0000 ( 3668 PWs) bands (ev): -16.0465 -16.0465 -16.0463 -16.0463 -9.7885 -9.7885 -9.7884 -9.7884 -4.5987 -4.5987 -4.5974 -4.5974 -1.9719 -1.9719 -1.9639 -1.9639 -0.4911 -0.4911 -0.4778 -0.4778 0.7505 0.7505 0.7510 0.7510 2.2612 2.2612 2.2987 2.2987 2.4472 2.4472 2.4903 2.4903 9.4065 9.4065 9.4088 9.4088 11.0891 11.0891 11.0895 11.0895 k = 0.5000 0.2720-0.0000 ( 3672 PWs) bands (ev): -16.0383 -16.0383 -16.0380 -16.0380 -9.7814 -9.7814 -9.7813 -9.7813 -4.6612 -4.6612 -4.6600 -4.6600 -1.9331 -1.9331 -1.9250 -1.9250 -0.4698 -0.4698 -0.4559 -0.4559 0.7313 0.7313 0.7313 0.7313 2.2547 2.2547 2.3002 2.3002 2.4100 2.4100 2.4610 2.4610 9.4504 9.4504 9.4528 9.4528 11.0600 11.0600 11.0601 11.0601 k = 0.5000 0.2833-0.0000 ( 3668 PWs) bands (ev): -16.0301 -16.0301 -16.0298 -16.0298 -9.7744 -9.7744 -9.7743 -9.7743 -4.7216 -4.7216 -4.7204 -4.7204 -1.8936 -1.8936 -1.8852 -1.8852 -0.4540 -0.4540 -0.4395 -0.4395 0.7144 0.7144 0.7149 0.7149 2.2454 2.2454 2.3001 2.3001 2.3752 2.3752 2.4353 2.4353 9.4948 9.4948 9.4973 9.4973 11.0297 11.0297 11.0297 11.0297 k = 0.5000 0.2946-0.0000 ( 3668 PWs) bands (ev): -16.0220 -16.0220 -16.0217 -16.0217 -9.7674 -9.7674 -9.7673 -9.7673 -4.7797 -4.7797 -4.7785 -4.7785 -1.8533 -1.8533 -1.8447 -1.8447 -0.4440 -0.4440 -0.4290 -0.4290 0.7004 0.7004 0.7015 0.7015 2.2330 2.2330 2.2958 2.2958 2.3457 2.3457 2.4138 2.4138 9.5394 9.5394 9.5420 9.5420 10.9981 10.9981 10.9984 10.9984 k = 0.5000 0.3060-0.0000 ( 3668 PWs) bands (ev): -16.0140 -16.0140 -16.0137 -16.0137 -9.7605 -9.7605 -9.7604 -9.7604 -4.8354 -4.8354 -4.8343 -4.8343 -1.8123 -1.8123 -1.8034 -1.8034 -0.4401 -0.4401 -0.4246 -0.4246 0.6897 0.6897 0.6913 0.6913 2.2174 2.2174 2.2806 2.2806 2.3284 2.3284 2.3966 2.3966 9.5840 9.5840 9.5867 9.5867 10.9655 10.9655 10.9660 10.9660 k = 0.5000 0.3173-0.0000 ( 3658 PWs) bands (ev): -16.0062 -16.0062 -16.0060 -16.0060 -9.7538 -9.7538 -9.7537 -9.7537 -4.8886 -4.8886 -4.8874 -4.8874 -1.7704 -1.7704 -1.7613 -1.7613 -0.4422 -0.4422 -0.4263 -0.4263 0.6823 0.6823 0.6843 0.6843 2.1991 2.1991 2.2548 2.2548 2.3231 2.3231 2.3835 2.3835 9.6285 9.6285 9.6312 9.6312 10.9320 10.9320 10.9327 10.9327 k = 0.5000 0.3286-0.0000 ( 3658 PWs) bands (ev): -15.9986 -15.9986 -15.9984 -15.9984 -9.7473 -9.7473 -9.7472 -9.7472 -4.9391 -4.9391 -4.9380 -4.9380 -1.7278 -1.7278 -1.7185 -1.7185 -0.4503 -0.4503 -0.4340 -0.4340 0.6780 0.6780 0.6804 0.6804 2.1789 2.1789 2.2259 2.2259 2.3222 2.3222 2.3737 2.3737 9.6726 9.6726 9.6753 9.6753 10.8979 10.8979 10.8987 10.8987 k = 0.5000 0.3400-0.0000 ( 3658 PWs) bands (ev): -15.9914 -15.9914 -15.9911 -15.9911 -9.7410 -9.7410 -9.7409 -9.7409 -4.9868 -4.9868 -4.9858 -4.9858 -1.6845 -1.6845 -1.6749 -1.6749 -0.4640 -0.4640 -0.4475 -0.4475 0.6767 0.6767 0.6793 0.6793 2.1577 2.1577 2.1974 2.1974 2.3226 2.3226 2.3664 2.3664 9.7161 9.7161 9.7189 9.7189 10.8632 10.8632 10.8642 10.8642 k = 0.5000 0.3513-0.0000 ( 3654 PWs) bands (ev): -15.9844 -15.9844 -15.9842 -15.9842 -9.7350 -9.7350 -9.7349 -9.7349 -5.0317 -5.0317 -5.0307 -5.0307 -1.6405 -1.6405 -1.6306 -1.6306 -0.4831 -0.4831 -0.4664 -0.4664 0.6779 0.6779 0.6808 0.6808 2.1364 2.1364 2.1700 2.1700 2.3234 2.3234 2.3610 2.3610 9.7588 9.7588 9.7616 9.7616 10.8284 10.8284 10.8295 10.8295 k = 0.5000 0.3626-0.0000 ( 3660 PWs) bands (ev): -15.9777 -15.9777 -15.9775 -15.9775 -9.7292 -9.7292 -9.7292 -9.7292 -5.0736 -5.0736 -5.0727 -5.0727 -1.5958 -1.5958 -1.5856 -1.5856 -0.5069 -0.5069 -0.4902 -0.4902 0.6813 0.6813 0.6843 0.6843 2.1155 2.1155 2.1443 2.1443 2.3244 2.3244 2.3568 2.3568 9.8005 9.8005 9.8033 9.8033 10.7937 10.7937 10.7949 10.7949 k = 0.5000 0.3740-0.0000 ( 3656 PWs) bands (ev): -15.9715 -15.9715 -15.9713 -15.9713 -9.7238 -9.7238 -9.7238 -9.7238 -5.1125 -5.1125 -5.1117 -5.1117 -1.5504 -1.5504 -1.5401 -1.5401 -0.5350 -0.5350 -0.5183 -0.5183 0.6863 0.6863 0.6893 0.6893 2.0956 2.0956 2.1204 2.1204 2.3253 2.3253 2.3534 2.3534 9.8410 9.8410 9.8437 9.8437 10.7594 10.7594 10.7607 10.7607 k = 0.5000 0.3853-0.0000 ( 3668 PWs) bands (ev): -15.9656 -15.9656 -15.9654 -15.9654 -9.7188 -9.7188 -9.7187 -9.7187 -5.1483 -5.1483 -5.1476 -5.1476 -1.5046 -1.5046 -1.4939 -1.4939 -0.5668 -0.5668 -0.5502 -0.5502 0.6925 0.6925 0.6955 0.6955 2.0770 2.0770 2.0985 2.0985 2.3263 2.3263 2.3506 2.3506 9.8799 9.8799 9.8826 9.8826 10.7258 10.7258 10.7272 10.7272 k = 0.5000 0.3966-0.0000 ( 3664 PWs) bands (ev): -15.9602 -15.9602 -15.9601 -15.9601 -9.7141 -9.7141 -9.7140 -9.7140 -5.1810 -5.1810 -5.1803 -5.1803 -1.4582 -1.4582 -1.4473 -1.4473 -0.6018 -0.6018 -0.5855 -0.5855 0.6994 0.6994 0.7023 0.7023 2.0599 2.0599 2.0785 2.0785 2.3271 2.3271 2.3483 2.3483 9.9172 9.9172 9.9197 9.9197 10.6934 10.6934 10.6948 10.6948 k = 0.5000 0.4080-0.0000 ( 3668 PWs) bands (ev): -15.9553 -15.9553 -15.9551 -15.9551 -9.7099 -9.7099 -9.7098 -9.7098 -5.2103 -5.2103 -5.2097 -5.2097 -1.4114 -1.4114 -1.4002 -1.4002 -0.6395 -0.6395 -0.6234 -0.6234 0.7066 0.7066 0.7093 0.7093 2.0445 2.0445 2.0605 2.0605 2.3280 2.3280 2.3462 2.3462 9.9524 9.9524 9.9549 9.9549 10.6624 10.6624 10.6638 10.6638 k = 0.5000 0.4193-0.0000 ( 3670 PWs) bands (ev): -15.9509 -15.9509 -15.9508 -15.9508 -9.7060 -9.7060 -9.7060 -9.7060 -5.2364 -5.2364 -5.2358 -5.2358 -1.3643 -1.3643 -1.3529 -1.3529 -0.6793 -0.6793 -0.6635 -0.6635 0.7138 0.7138 0.7163 0.7163 2.0309 2.0309 2.0446 2.0446 2.3287 2.3287 2.3443 2.3443 9.9853 9.9853 9.9877 9.9877 10.6332 10.6332 10.6346 10.6346 k = 0.5000 0.4306-0.0000 ( 3674 PWs) bands (ev): -15.9470 -15.9470 -15.9469 -15.9469 -9.7027 -9.7027 -9.7026 -9.7026 -5.2591 -5.2591 -5.2586 -5.2586 -1.3171 -1.3171 -1.3055 -1.3055 -0.7209 -0.7209 -0.7054 -0.7054 0.7206 0.7206 0.7228 0.7228 2.0192 2.0192 2.0307 2.0307 2.3295 2.3295 2.3426 2.3426 10.0157 10.0157 10.0178 10.0178 10.6062 10.6062 10.6075 10.6075 k = 0.5000 0.4420-0.0000 ( 3650 PWs) bands (ev): -15.9437 -15.9437 -15.9436 -15.9436 -9.6998 -9.6998 -9.6998 -9.6998 -5.2783 -5.2783 -5.2779 -5.2779 -1.2700 -1.2700 -1.2583 -1.2583 -0.7635 -0.7635 -0.7485 -0.7485 0.7267 0.7267 0.7286 0.7286 2.0094 2.0094 2.0189 2.0189 2.3303 2.3303 2.3411 2.3411 10.0429 10.0429 10.0449 10.0449 10.5817 10.5817 10.5830 10.5830 k = 0.5000 0.4533-0.0000 ( 3648 PWs) bands (ev): -15.9409 -15.9409 -15.9409 -15.9409 -9.6974 -9.6974 -9.6974 -9.6974 -5.2942 -5.2942 -5.2938 -5.2938 -1.2235 -1.2235 -1.2117 -1.2117 -0.8066 -0.8066 -0.7922 -0.7922 0.7320 0.7320 0.7336 0.7336 2.0016 2.0016 2.0090 2.0090 2.3311 2.3311 2.3396 2.3396 10.0667 10.0667 10.0683 10.0683 10.5604 10.5604 10.5615 10.5615 k = 0.5000 0.4646-0.0000 ( 3644 PWs) bands (ev): -15.9388 -15.9388 -15.9387 -15.9387 -9.6956 -9.6956 -9.6955 -9.6955 -5.3065 -5.3065 -5.3062 -5.3062 -1.1781 -1.1781 -1.1666 -1.1666 -0.8490 -0.8490 -0.8356 -0.8356 0.7364 0.7364 0.7375 0.7375 1.9957 1.9957 2.0012 2.0012 2.3319 2.3319 2.3382 2.3382 10.0862 10.0862 10.0876 10.0876 10.5429 10.5429 10.5437 10.5437 k = 0.5000 0.4760-0.0000 ( 3644 PWs) bands (ev): -15.9372 -15.9372 -15.9372 -15.9372 -9.6942 -9.6942 -9.6942 -9.6942 -5.3153 -5.3153 -5.3151 -5.3151 -1.1355 -1.1355 -1.1250 -1.1250 -0.8887 -0.8887 -0.8769 -0.8769 0.7396 0.7396 0.7404 0.7404 1.9917 1.9917 1.9954 1.9954 2.3328 2.3328 2.3370 2.3370 10.1010 10.1010 10.1019 10.1019 10.5297 10.5297 10.5303 10.5303 k = 0.5000 0.4873-0.0000 ( 3660 PWs) bands (ev): -15.9363 -15.9363 -15.9363 -15.9363 -9.6934 -9.6934 -9.6934 -9.6934 -5.3206 -5.3206 -5.3205 -5.3205 -1.0998 -1.0998 -1.0925 -1.0925 -0.9201 -0.9201 -0.9121 -0.9121 0.7416 0.7416 0.7420 0.7420 1.9897 1.9897 1.9915 1.9915 2.3337 2.3337 2.3358 2.3358 10.1103 10.1103 10.1108 10.1108 10.5215 10.5215 10.5218 10.5218 k = 0.5000 0.4986-0.0000 ( 3660 PWs) bands (ev): -15.9360 -15.9360 -15.9360 -15.9360 -9.6931 -9.6931 -9.6931 -9.6931 -5.3223 -5.3223 -5.3223 -5.3223 -1.0815 -1.0815 -1.0815 -1.0815 -0.9304 -0.9304 -0.9304 -0.9304 0.7425 0.7425 0.7425 0.7425 1.9896 1.9896 1.9896 1.9896 2.3347 2.3347 2.3347 2.3347 10.1136 10.1136 10.1136 10.1136 10.5188 10.5188 10.5188 10.5188 k = 0.5000 0.4986-0.0000 ( 3660 PWs) bands (ev): -15.9360 -15.9360 -15.9360 -15.9360 -9.6931 -9.6931 -9.6931 -9.6931 -5.3223 -5.3223 -5.3223 -5.3223 -1.0815 -1.0815 -1.0815 -1.0815 -0.9304 -0.9304 -0.9304 -0.9304 0.7425 0.7425 0.7425 0.7425 1.9896 1.9896 1.9896 1.9896 2.3347 2.3347 2.3347 2.3347 10.1136 10.1136 10.1136 10.1136 10.5188 10.5188 10.5188 10.5188 k = 0.4886 0.4986-0.0000 ( 3652 PWs) bands (ev): -15.9362 -15.9362 -15.9362 -15.9362 -9.6936 -9.6936 -9.6936 -9.6936 -5.3208 -5.3208 -5.3208 -5.3208 -1.0922 -1.0922 -1.0858 -1.0858 -0.9264 -0.9264 -0.9194 -0.9194 0.7435 0.7435 0.7440 0.7440 1.9889 1.9889 1.9890 1.9890 2.3345 2.3345 2.3347 2.3347 10.1138 10.1138 10.1149 10.1149 10.5181 10.5181 10.5186 10.5186 k = 0.4773 0.4986-0.0000 ( 3652 PWs) bands (ev): -15.9368 -15.9368 -15.9368 -15.9368 -9.6949 -9.6949 -9.6949 -9.6949 -5.3164 -5.3164 -5.3162 -5.3162 -1.1135 -1.1135 -1.1031 -1.1031 -0.9094 -0.9094 -0.8979 -0.8979 0.7470 0.7470 0.7481 0.7481 1.9868 1.9868 1.9871 1.9871 2.3340 2.3340 2.3346 2.3346 10.1154 10.1154 10.1177 10.1177 10.5165 10.5165 10.5174 10.5174 k = 0.4659 0.4986-0.0000 ( 3652 PWs) bands (ev): -15.9379 -15.9379 -15.9378 -15.9378 -9.6970 -9.6970 -9.6970 -9.6970 -5.3089 -5.3089 -5.3087 -5.3087 -1.1403 -1.1403 -1.1281 -1.1281 -0.8848 -0.8848 -0.8710 -0.8710 0.7530 0.7530 0.7547 0.7547 1.9834 1.9834 1.9838 1.9838 2.3334 2.3334 2.3342 2.3342 10.1184 10.1184 10.1218 10.1218 10.5135 10.5135 10.5149 10.5149 k = 0.4545 0.4986-0.0000 ( 3648 PWs) bands (ev): -15.9393 -15.9393 -15.9392 -15.9392 -9.7000 -9.7000 -9.7000 -9.7000 -5.2985 -5.2985 -5.2982 -5.2982 -1.1699 -1.1699 -1.1568 -1.1568 -0.8566 -0.8566 -0.8414 -0.8414 0.7616 0.7616 0.7638 0.7638 1.9788 1.9788 1.9793 1.9793 2.3325 2.3325 2.3336 2.3336 10.1227 10.1227 10.1272 10.1272 10.5086 10.5086 10.5106 10.5106 k = 0.4432 0.4986-0.0000 ( 3656 PWs) bands (ev): -15.9412 -15.9412 -15.9411 -15.9411 -9.7038 -9.7038 -9.7038 -9.7038 -5.2851 -5.2851 -5.2848 -5.2848 -1.2007 -1.2007 -1.1874 -1.1874 -0.8267 -0.8267 -0.8107 -0.8107 0.7727 0.7727 0.7754 0.7754 1.9730 1.9730 1.9736 1.9736 2.3314 2.3314 2.3328 2.3328 10.1282 10.1282 10.1338 10.1338 10.5011 10.5011 10.5035 10.5035 k = 0.4318 0.4986-0.0000 ( 3652 PWs) bands (ev): -15.9434 -15.9434 -15.9433 -15.9433 -9.7084 -9.7084 -9.7083 -9.7083 -5.2689 -5.2689 -5.2685 -5.2685 -1.2323 -1.2323 -1.2189 -1.2189 -0.7960 -0.7960 -0.7795 -0.7795 0.7862 0.7862 0.7894 0.7894 1.9662 1.9662 1.9668 1.9668 2.3300 2.3300 2.3318 2.3318 10.1346 10.1346 10.1413 10.1413 10.4901 10.4901 10.4930 10.4930 k = 0.4205 0.4986-0.0000 ( 3660 PWs) bands (ev): -15.9461 -15.9461 -15.9459 -15.9459 -9.7137 -9.7137 -9.7137 -9.7137 -5.2498 -5.2498 -5.2494 -5.2494 -1.2641 -1.2641 -1.2508 -1.2508 -0.7653 -0.7653 -0.7483 -0.7483 0.8022 0.8022 0.8059 0.8059 1.9584 1.9584 1.9591 1.9591 2.3283 2.3283 2.3305 2.3305 10.1416 10.1416 10.1494 10.1494 10.4747 10.4747 10.4782 10.4782 k = 0.4091 0.4986-0.0000 ( 3660 PWs) bands (ev): -15.9490 -15.9490 -15.9489 -15.9489 -9.7198 -9.7198 -9.7197 -9.7197 -5.2280 -5.2280 -5.2275 -5.2275 -1.2960 -1.2960 -1.2827 -1.2827 -0.7348 -0.7348 -0.7175 -0.7175 0.8206 0.8206 0.8248 0.8248 1.9499 1.9499 1.9506 1.9506 2.3263 2.3263 2.3288 2.3288 10.1487 10.1487 10.1576 10.1576 10.4545 10.4545 10.4585 10.4585 k = 0.3977 0.4986-0.0000 ( 3664 PWs) bands (ev): -15.9524 -15.9524 -15.9522 -15.9522 -9.7265 -9.7265 -9.7265 -9.7265 -5.2035 -5.2035 -5.2030 -5.2030 -1.3277 -1.3277 -1.3146 -1.3146 -0.7050 -0.7050 -0.6875 -0.6875 0.8415 0.8415 0.8461 0.8461 1.9407 1.9407 1.9414 1.9414 2.3239 2.3239 2.3269 2.3269 10.1552 10.1552 10.1651 10.1651 10.4292 10.4292 10.4338 10.4338 k = 0.3864 0.4986-0.0000 ( 3660 PWs) bands (ev): -15.9560 -15.9560 -15.9558 -15.9558 -9.7339 -9.7339 -9.7339 -9.7339 -5.1764 -5.1764 -5.1758 -5.1758 -1.3591 -1.3591 -1.3462 -1.3462 -0.6761 -0.6761 -0.6584 -0.6584 0.8647 0.8647 0.8698 0.8698 1.9311 1.9311 1.9317 1.9317 2.3212 2.3212 2.3247 2.3247 10.1597 10.1597 10.1704 10.1704 10.3999 10.3999 10.4051 10.4051 k = 0.3750 0.4986-0.0000 ( 3660 PWs) bands (ev): -15.9600 -15.9600 -15.9597 -15.9597 -9.7419 -9.7419 -9.7418 -9.7418 -5.1468 -5.1468 -5.1462 -5.1462 -1.3901 -1.3901 -1.3774 -1.3774 -0.6483 -0.6483 -0.6305 -0.6305 0.8904 0.8904 0.8959 0.8959 1.9211 1.9211 1.9217 1.9217 2.3181 2.3181 2.3221 2.3221 10.1597 10.1597 10.1709 10.1709 10.3687 10.3687 10.3748 10.3748 k = 0.3636 0.4986-0.0000 ( 3660 PWs) bands (ev): -15.9642 -15.9642 -15.9640 -15.9640 -9.7504 -9.7504 -9.7503 -9.7503 -5.1148 -5.1148 -5.1141 -5.1141 -1.4206 -1.4206 -1.4082 -1.4082 -0.6221 -0.6221 -0.6041 -0.6041 0.9184 0.9184 0.9243 0.9243 1.9110 1.9110 1.9114 1.9114 2.3147 2.3147 2.3192 2.3192 10.1511 10.1511 10.1622 10.1622 10.3401 10.3401 10.3477 10.3477 k = 0.3523 0.4986-0.0000 ( 3660 PWs) bands (ev): -15.9687 -15.9687 -15.9684 -15.9684 -9.7594 -9.7594 -9.7593 -9.7593 -5.0805 -5.0805 -5.0797 -5.0797 -1.4506 -1.4506 -1.4383 -1.4383 -0.5975 -0.5975 -0.5795 -0.5795 0.9488 0.9488 0.9551 0.9551 1.9008 1.9008 1.9011 1.9011 2.3109 2.3109 2.3160 2.3160 10.1288 10.1288 10.1390 10.1390 10.3194 10.3194 10.3292 10.3292 k = 0.3409 0.4986-0.0000 ( 3654 PWs) bands (ev): -15.9735 -15.9735 -15.9732 -15.9732 -9.7688 -9.7688 -9.7688 -9.7688 -5.0440 -5.0440 -5.0432 -5.0432 -1.4799 -1.4799 -1.4678 -1.4678 -0.5750 -0.5750 -0.5569 -0.5569 0.9816 0.9816 0.9883 0.9883 1.8908 1.8908 1.8909 1.8909 2.3067 2.3067 2.3125 2.3125 10.0908 10.0908 10.0999 10.0999 10.3093 10.3093 10.3215 10.3215 k = 0.3295 0.4986-0.0000 ( 3654 PWs) bands (ev): -15.9784 -15.9784 -15.9781 -15.9781 -9.7786 -9.7786 -9.7786 -9.7786 -5.0055 -5.0055 -5.0046 -5.0046 -1.5084 -1.5084 -1.4965 -1.4965 -0.5547 -0.5547 -0.5366 -0.5366 1.0167 1.0167 1.0238 1.0238 1.8809 1.8809 1.8811 1.8811 2.3022 2.3022 2.3087 2.3087 10.0399 10.0399 10.0481 10.0481 10.3074 10.3074 10.3216 10.3216 k = 0.3182 0.4986-0.0000 ( 3662 PWs) bands (ev): -15.9836 -15.9836 -15.9832 -15.9832 -9.7888 -9.7888 -9.7887 -9.7887 -4.9650 -4.9650 -4.9641 -4.9641 -1.5361 -1.5361 -1.5244 -1.5244 -0.5369 -0.5369 -0.5189 -0.5189 1.0542 1.0542 1.0617 1.0617 1.8714 1.8714 1.8718 1.8718 2.2975 2.2975 2.3047 2.3047 9.9801 9.9801 9.9878 9.9878 10.3100 10.3100 10.3258 10.3258 k = 0.3068 0.4986-0.0000 ( 3658 PWs) bands (ev): -15.9888 -15.9888 -15.9885 -15.9885 -9.7992 -9.7992 -9.7991 -9.7991 -4.9229 -4.9229 -4.9219 -4.9219 -1.5629 -1.5629 -1.5514 -1.5514 -0.5220 -0.5220 -0.5040 -0.5040 1.0940 1.0940 1.1018 1.1018 1.8623 1.8623 1.8631 1.8631 2.2924 2.2924 2.3005 2.3005 9.9147 9.9147 9.9220 9.9220 10.3142 10.3142 10.3314 10.3314 k = 0.2955 0.4986-0.0000 ( 3666 PWs) bands (ev): -15.9943 -15.9943 -15.9939 -15.9939 -9.8098 -9.8098 -9.8097 -9.8097 -4.8791 -4.8791 -4.8781 -4.8781 -1.5886 -1.5886 -1.5773 -1.5773 -0.5100 -0.5100 -0.4922 -0.4922 1.1361 1.1361 1.1442 1.1442 1.8539 1.8539 1.8551 1.8551 2.2871 2.2871 2.2960 2.2960 9.8457 9.8457 9.8528 9.8528 10.3180 10.3180 10.3365 10.3365 k = 0.2841 0.4986-0.0000 ( 3672 PWs) bands (ev): -15.9998 -15.9998 -15.9994 -15.9994 -9.8206 -9.8206 -9.8205 -9.8205 -4.8339 -4.8339 -4.8329 -4.8329 -1.6134 -1.6134 -1.6022 -1.6022 -0.5012 -0.5012 -0.4835 -0.4835 1.1804 1.1804 1.1888 1.1888 1.8462 1.8462 1.8478 1.8478 2.2816 2.2816 2.2914 2.2914 9.7744 9.7744 9.7813 9.7813 10.3203 10.3203 10.3399 10.3399 k = 0.2727 0.4986-0.0000 ( 3668 PWs) bands (ev): -16.0054 -16.0054 -16.0050 -16.0050 -9.8314 -9.8314 -9.8313 -9.8313 -4.7875 -4.7875 -4.7865 -4.7865 -1.6369 -1.6369 -1.6259 -1.6259 -0.4957 -0.4957 -0.4782 -0.4782 1.2267 1.2267 1.2355 1.2355 1.8394 1.8394 1.8414 1.8414 2.2759 2.2759 2.2867 2.2867 9.7018 9.7018 9.7085 9.7085 10.3199 10.3199 10.3405 10.3405 k = 0.2614 0.4986-0.0000 ( 3664 PWs) bands (ev): -16.0110 -16.0110 -16.0107 -16.0107 -9.8423 -9.8423 -9.8422 -9.8422 -4.7401 -4.7401 -4.7390 -4.7390 -1.6592 -1.6592 -1.6483 -1.6483 -0.4936 -0.4936 -0.4764 -0.4764 1.2750 1.2750 1.2841 1.2841 1.8334 1.8334 1.8360 1.8360 2.2700 2.2700 2.2820 2.2820 9.6286 9.6286 9.6352 9.6352 10.3160 10.3160 10.3373 10.3373 k = 0.2500 0.4986-0.0000 ( 3660 PWs) bands (ev): -16.0167 -16.0167 -16.0163 -16.0163 -9.8531 -9.8531 -9.8531 -9.8531 -4.6918 -4.6918 -4.6906 -4.6906 -1.6802 -1.6802 -1.6695 -1.6695 -0.4950 -0.4950 -0.4780 -0.4780 1.3250 1.3250 1.3344 1.3344 1.8284 1.8284 1.8317 1.8317 2.2641 2.2641 2.2773 2.2773 9.5555 9.5555 9.5620 9.5620 10.3077 10.3077 10.3297 10.3297 k = 0.2386 0.4986-0.0000 ( 3660 PWs) bands (ev): -16.0223 -16.0223 -16.0220 -16.0220 -9.8639 -9.8639 -9.8638 -9.8638 -4.6428 -4.6428 -4.6417 -4.6417 -1.6998 -1.6998 -1.6892 -1.6892 -0.4998 -0.4998 -0.4831 -0.4831 1.3765 1.3765 1.3862 1.3862 1.8243 1.8243 1.8284 1.8284 2.2582 2.2582 2.2726 2.2726 9.4829 9.4829 9.4893 9.4893 10.2943 10.2943 10.3168 10.3168 k = 0.2273 0.4986-0.0000 ( 3660 PWs) bands (ev): -16.0279 -16.0279 -16.0275 -16.0275 -9.8745 -9.8745 -9.8745 -9.8745 -4.5935 -4.5935 -4.5923 -4.5923 -1.7179 -1.7179 -1.7075 -1.7075 -0.5081 -0.5081 -0.4917 -0.4917 1.4291 1.4291 1.4390 1.4390 1.8213 1.8213 1.8264 1.8264 2.2522 2.2522 2.2680 2.2680 9.4112 9.4112 9.4175 9.4175 10.2753 10.2753 10.2981 10.2981 k = 0.2159 0.4986-0.0000 ( 3660 PWs) bands (ev): -16.0334 -16.0334 -16.0331 -16.0331 -9.8850 -9.8850 -9.8850 -9.8850 -4.5440 -4.5440 -4.5428 -4.5428 -1.7345 -1.7345 -1.7242 -1.7242 -0.5196 -0.5196 -0.5036 -0.5036 1.4826 1.4826 1.4925 1.4925 1.8194 1.8194 1.8257 1.8257 2.2463 2.2463 2.2636 2.2636 9.3409 9.3409 9.3470 9.3470 10.2503 10.2503 10.2732 10.2732 k = 0.2045 0.4986-0.0000 ( 3664 PWs) bands (ev): -16.0388 -16.0388 -16.0385 -16.0385 -9.8952 -9.8952 -9.8952 -9.8952 -4.4946 -4.4946 -4.4933 -4.4933 -1.7495 -1.7495 -1.7393 -1.7393 -0.5343 -0.5343 -0.5186 -0.5186 1.5363 1.5363 1.5460 1.5460 1.8187 1.8187 1.8268 1.8268 2.2404 2.2404 2.2595 2.2595 9.2723 9.2723 9.2782 9.2782 10.2192 10.2192 10.2419 10.2419 k = 0.1932 0.4986-0.0000 ( 3660 PWs) bands (ev): -16.0441 -16.0441 -16.0438 -16.0438 -9.9052 -9.9052 -9.9051 -9.9051 -4.4455 -4.4455 -4.4442 -4.4442 -1.7628 -1.7628 -1.7527 -1.7527 -0.5519 -0.5519 -0.5366 -0.5366 1.5896 1.5896 1.5985 1.5985 1.8195 1.8195 1.8301 1.8301 2.2347 2.2347 2.2557 2.2557 9.2056 9.2056 9.2114 9.2114 10.1822 10.1822 10.2045 10.2045 k = 0.1818 0.4986-0.0000 ( 3668 PWs) bands (ev): -16.0493 -16.0493 -16.0489 -16.0489 -9.9148 -9.9148 -9.9148 -9.9148 -4.3970 -4.3970 -4.3958 -4.3958 -1.7744 -1.7744 -1.7645 -1.7645 -0.5721 -0.5721 -0.5573 -0.5573 1.6414 1.6414 1.6486 1.6486 1.8224 1.8224 1.8368 1.8368 2.2292 2.2292 2.2524 2.2524 9.1411 9.1411 9.1467 9.1467 10.1396 10.1396 10.1613 10.1613 k = 0.1705 0.4986-0.0000 ( 3660 PWs) bands (ev): -16.0542 -16.0542 -16.0539 -16.0539 -9.9241 -9.9241 -9.9241 -9.9241 -4.3494 -4.3494 -4.3482 -4.3482 -1.7843 -1.7843 -1.7745 -1.7745 -0.5947 -0.5947 -0.5803 -0.5803 1.6897 1.6897 1.6935 1.6935 1.8288 1.8288 1.8489 1.8489 2.2239 2.2239 2.2495 2.2495 9.0790 9.0790 9.0845 9.0845 10.0921 10.0921 10.1130 10.1130 k = 0.1591 0.4986-0.0000 ( 3660 PWs) bands (ev): -16.0590 -16.0590 -16.0587 -16.0587 -9.9330 -9.9330 -9.9329 -9.9329 -4.3030 -4.3030 -4.3018 -4.3018 -1.7923 -1.7923 -1.7827 -1.7827 -0.6194 -0.6194 -0.6055 -0.6055 1.7296 1.7296 1.7309 1.7309 1.8418 1.8418 1.8696 1.8696 2.2189 2.2189 2.2474 2.2474 9.0196 9.0196 9.0249 9.0249 10.0407 10.0407 10.0607 10.0607 k = 0.1477 0.4986-0.0000 ( 3668 PWs) bands (ev): -16.0635 -16.0635 -16.0633 -16.0633 -9.9414 -9.9414 -9.9413 -9.9413 -4.2581 -4.2581 -4.2569 -4.2569 -1.7986 -1.7986 -1.7892 -1.7892 -0.6457 -0.6457 -0.6323 -0.6323 1.7547 1.7547 1.7603 1.7603 1.8654 1.8654 1.9007 1.9007 2.2143 2.2143 2.2460 2.2460 8.9632 8.9632 8.9682 8.9682 9.9865 9.9865 10.0053 10.0053 k = 0.1364 0.4986-0.0000 ( 3672 PWs) bands (ev): -16.0678 -16.0678 -16.0676 -16.0676 -9.9493 -9.9493 -9.9493 -9.9493 -4.2149 -4.2149 -4.2137 -4.2137 -1.8031 -1.8031 -1.7940 -1.7940 -0.6733 -0.6733 -0.6605 -0.6605 1.7704 1.7704 1.7772 1.7772 1.8995 1.8995 1.9398 1.9398 2.2102 2.2102 2.2457 2.2457 8.9097 8.9097 8.9145 8.9145 9.9305 9.9305 9.9480 9.9480 k = 0.1250 0.4986-0.0000 ( 3668 PWs) bands (ev): -16.0718 -16.0718 -16.0716 -16.0716 -9.9568 -9.9568 -9.9567 -9.9567 -4.1738 -4.1738 -4.1727 -4.1727 -1.8060 -1.8060 -1.7971 -1.7971 -0.7017 -0.7017 -0.6895 -0.6895 1.7802 1.7802 1.7865 1.7865 1.9386 1.9386 1.9827 1.9827 2.2067 2.2067 2.2466 2.2466 8.8596 8.8596 8.8641 8.8641 9.8740 9.8740 9.8902 9.8902 k = 0.1136 0.4986-0.0000 ( 3672 PWs) bands (ev): -16.0756 -16.0756 -16.0754 -16.0754 -9.9636 -9.9636 -9.9636 -9.9636 -4.1351 -4.1351 -4.1340 -4.1340 -1.8072 -1.8072 -1.7987 -1.7987 -0.7304 -0.7304 -0.7189 -0.7189 1.7868 1.7868 1.7922 1.7922 1.9777 1.9777 2.0260 2.0260 2.2042 2.2042 2.2491 2.2491 8.8129 8.8129 8.8171 8.8171 9.8183 9.8183 9.8331 9.8331 k = 0.1023 0.4986-0.0000 ( 3672 PWs) bands (ev): -16.0790 -16.0790 -16.0788 -16.0788 -9.9700 -9.9700 -9.9699 -9.9699 -4.0990 -4.0990 -4.0980 -4.0980 -1.8069 -1.8069 -1.7989 -1.7989 -0.7589 -0.7589 -0.7482 -0.7482 1.7916 1.7916 1.7961 1.7961 2.0142 2.0142 2.0669 2.0669 2.2033 2.2033 2.2536 2.2536 8.7699 8.7699 8.7738 8.7738 9.7643 9.7643 9.7777 9.7777 k = 0.0909 0.4986-0.0000 ( 3668 PWs) bands (ev): -16.0821 -16.0821 -16.0820 -16.0820 -9.9757 -9.9757 -9.9756 -9.9756 -4.0659 -4.0659 -4.0649 -4.0649 -1.8053 -1.8053 -1.7978 -1.7978 -0.7867 -0.7867 -0.7768 -0.7768 1.7954 1.7954 1.7991 1.7991 2.0465 2.0465 2.1030 2.1030 2.2054 2.2054 2.2602 2.2602 8.7307 8.7307 8.7342 8.7342 9.7133 9.7133 9.7253 9.7253 k = 0.0795 0.4986-0.0000 ( 3660 PWs) bands (ev): -16.0849 -16.0849 -16.0848 -16.0848 -9.9808 -9.9808 -9.9807 -9.9807 -4.0359 -4.0359 -4.0350 -4.0350 -1.8027 -1.8027 -1.7957 -1.7957 -0.8131 -0.8131 -0.8041 -0.8041 1.7984 1.7984 1.8014 1.8014 2.0735 2.0735 2.1308 2.1308 2.2131 2.2131 2.2692 2.2692 8.6955 8.6955 8.6987 8.6987 9.6662 9.6662 9.6766 9.6766 k = 0.0682 0.4986-0.0000 ( 3660 PWs) bands (ev): -16.0874 -16.0874 -16.0872 -16.0872 -9.9852 -9.9852 -9.9852 -9.9852 -4.0094 -4.0094 -4.0086 -4.0086 -1.7993 -1.7993 -1.7930 -1.7930 -0.8377 -0.8377 -0.8297 -0.8297 1.8009 1.8009 1.8033 1.8033 2.0950 2.0950 2.1471 2.1471 2.2288 2.2288 2.2800 2.2800 8.6645 8.6645 8.6673 8.6673 9.6238 9.6238 9.6327 9.6327 k = 0.0568 0.4986-0.0000 ( 3646 PWs) bands (ev): -16.0894 -16.0894 -16.0893 -16.0893 -9.9890 -9.9890 -9.9890 -9.9890 -3.9866 -3.9866 -3.9859 -3.9859 -1.7954 -1.7954 -1.7899 -1.7899 -0.8597 -0.8597 -0.8528 -0.8528 1.8029 1.8029 1.8049 1.8049 2.1115 2.1115 2.1541 2.1541 2.2498 2.2498 2.2918 2.2918 8.6380 8.6380 8.6404 8.6404 9.5868 9.5868 9.5942 9.5942 k = 0.0455 0.4986-0.0000 ( 3642 PWs) bands (ev): -16.0912 -16.0912 -16.0911 -16.0911 -9.9921 -9.9921 -9.9921 -9.9921 -3.9676 -3.9676 -3.9670 -3.9670 -1.7914 -1.7914 -1.7868 -1.7868 -0.8786 -0.8786 -0.8729 -0.8729 1.8046 1.8046 1.8061 1.8061 2.1238 2.1238 2.1561 2.1561 2.2713 2.2713 2.3033 2.3033 8.6160 8.6160 8.6180 8.6180 9.5558 9.5558 9.5618 9.5618 k = 0.0341 0.4986-0.0000 ( 3650 PWs) bands (ev): -16.0925 -16.0925 -16.0924 -16.0924 -9.9946 -9.9946 -9.9946 -9.9946 -3.9526 -3.9526 -3.9522 -3.9522 -1.7876 -1.7876 -1.7841 -1.7841 -0.8938 -0.8938 -0.8895 -0.8895 1.8059 1.8059 1.8070 1.8070 2.1328 2.1328 2.1558 2.1558 2.2904 2.2904 2.3132 2.3132 8.5988 8.5988 8.6003 8.6003 9.5314 9.5314 9.5359 9.5359 k = 0.0227 0.4986-0.0000 ( 3652 PWs) bands (ev): -16.0935 -16.0935 -16.0934 -16.0934 -9.9964 -9.9964 -9.9963 -9.9963 -3.9418 -3.9418 -3.9416 -3.9416 -1.7845 -1.7845 -1.7821 -1.7821 -0.9049 -0.9049 -0.9019 -0.9019 1.8069 1.8069 1.8076 1.8076 2.1396 2.1396 2.1542 2.1542 2.3055 2.3055 2.3201 2.3201 8.5865 8.5865 8.5875 8.5875 9.5140 9.5140 9.5169 9.5169 k = 0.0114 0.4986-0.0000 ( 3654 PWs) bands (ev): -16.0940 -16.0940 -16.0940 -16.0940 -9.9974 -9.9974 -9.9974 -9.9974 -3.9353 -3.9353 -3.9351 -3.9351 -1.7822 -1.7822 -1.7810 -1.7810 -0.9113 -0.9113 -0.9098 -0.9098 1.8075 1.8075 1.8078 1.8078 2.1447 2.1447 2.1518 2.1518 2.3162 2.3162 2.3232 2.3232 8.5791 8.5791 8.5796 8.5796 9.5037 9.5037 9.5052 9.5052 k = 0.0000 0.4986-0.0000 ( 3654 PWs) bands (ev): -16.0942 -16.0942 -16.0942 -16.0942 -9.9978 -9.9978 -9.9978 -9.9978 -3.9331 -3.9331 -3.9331 -3.9331 -1.7810 -1.7810 -1.7810 -1.7810 -0.9130 -0.9130 -0.9130 -0.9130 1.8078 1.8078 1.8078 1.8078 2.1487 2.1487 2.1487 2.1487 2.3220 2.3220 2.3220 2.3220 8.5769 8.5769 8.5769 8.5769 9.5007 9.5007 9.5007 9.5007 k = 0.0000 0.4986-0.0000 ( 3654 PWs) bands (ev): -16.0942 -16.0942 -16.0942 -16.0942 -9.9978 -9.9978 -9.9978 -9.9978 -3.9331 -3.9331 -3.9331 -3.9331 -1.7810 -1.7810 -1.7810 -1.7810 -0.9130 -0.9130 -0.9130 -0.9130 1.8078 1.8078 1.8078 1.8078 2.1487 2.1487 2.1487 2.1487 2.3220 2.3220 2.3220 2.3220 8.5769 8.5769 8.5769 8.5769 9.5007 9.5007 9.5007 9.5007 k = 0.0000 0.4873-0.0000 ( 3654 PWs) bands (ev): -16.1293 -16.1293 -16.0594 -16.0594 -10.0009 -10.0009 -9.9950 -9.9950 -3.9709 -3.9709 -3.8931 -3.8931 -1.8387 -1.8387 -1.7229 -1.7229 -0.9405 -0.9405 -0.8852 -0.8852 1.8047 1.8047 1.8120 1.8120 2.1200 2.1200 2.1772 2.1772 2.3184 2.3184 2.3260 2.3260 8.5518 8.5518 8.6034 8.6034 9.4875 9.4875 9.5091 9.5091 k = 0.0000 0.4760-0.0000 ( 3654 PWs) bands (ev): -16.1646 -16.1646 -16.0248 -16.0248 -10.0043 -10.0043 -9.9926 -9.9926 -4.0066 -4.0066 -3.8510 -3.8510 -1.8959 -1.8959 -1.6643 -1.6643 -0.9676 -0.9676 -0.8570 -0.8570 1.8025 1.8025 1.8173 1.8173 2.0916 2.0916 2.2050 2.2050 2.3154 2.3154 2.3300 2.3300 8.5283 8.5283 8.6312 8.6312 9.4696 9.4696 9.5125 9.5125 k = 0.0000 0.4646-0.0000 ( 3654 PWs) bands (ev): -16.2000 -16.2000 -15.9906 -15.9906 -10.0081 -10.0081 -9.9906 -9.9906 -4.0402 -4.0402 -3.8069 -3.8069 -1.9524 -1.9524 -1.6054 -1.6054 -0.9944 -0.9944 -0.8286 -0.8286 1.8009 1.8009 1.8239 1.8239 2.0638 2.0638 2.2311 2.2311 2.3139 2.3139 2.3341 2.3341 8.5061 8.5061 8.6600 8.6600 9.4476 9.4476 9.5111 9.5111 k = 0.0000 0.4533-0.0000 ( 3649 PWs) bands (ev): -16.2354 -16.2354 -15.9568 -15.9568 -10.0123 -10.0123 -9.9890 -9.9890 -4.0716 -4.0716 -3.7608 -3.7608 -2.0082 -2.0082 -1.5462 -1.5462 -1.0207 -1.0207 -0.8000 -0.8000 1.7998 1.7998 1.8317 1.8317 2.0370 2.0370 2.2529 2.2529 2.3162 2.3162 2.3384 2.3384 8.4853 8.4853 8.6893 8.6893 9.4219 9.4219 9.5051 9.5051 k = 0.0000 0.4420-0.0000 ( 3655 PWs) bands (ev): -16.2709 -16.2709 -15.9234 -15.9234 -10.0166 -10.0166 -9.9878 -9.9878 -4.1008 -4.1008 -3.7127 -3.7127 -2.0633 -2.0633 -1.4868 -1.4868 -1.0467 -1.0467 -0.7712 -0.7712 1.7986 1.7986 1.8408 1.8408 2.0118 2.0118 2.2664 2.2664 2.3252 2.3252 2.3439 2.3439 8.4655 8.4655 8.7187 8.7187 9.3932 9.3932 9.4951 9.4951 k = 0.0000 0.4306-0.0000 ( 3657 PWs) bands (ev): -16.3063 -16.3063 -15.8905 -15.8905 -10.0213 -10.0213 -9.9870 -9.9870 -4.1278 -4.1278 -3.6627 -3.6627 -2.1176 -2.1176 -1.4274 -1.4274 -1.0724 -1.0724 -0.7425 -0.7425 1.7966 1.7966 1.8511 1.8511 1.9891 1.9891 2.2708 2.2708 2.3368 2.3368 2.3556 2.3556 8.4462 8.4462 8.7472 8.7472 9.3624 9.3624 9.4821 9.4821 k = 0.0000 0.4193-0.0000 ( 3665 PWs) bands (ev): -16.3417 -16.3417 -15.8582 -15.8582 -10.0262 -10.0262 -9.9866 -9.9866 -4.1526 -4.1526 -3.6108 -3.6108 -2.1710 -2.1710 -1.3679 -1.3679 -1.0977 -1.0977 -0.7138 -0.7138 1.7928 1.7928 1.8626 1.8626 1.9701 1.9701 2.2699 2.2699 2.3429 2.3429 2.3776 2.3776 8.4272 8.4272 8.7736 8.7736 9.3303 9.3303 9.4672 9.4672 k = 0.0000 0.4080-0.0000 ( 3671 PWs) bands (ev): -16.3768 -16.3768 -15.8265 -15.8265 -10.0313 -10.0313 -9.9866 -9.9866 -4.1752 -4.1752 -3.5570 -3.5570 -2.2235 -2.2235 -1.3086 -1.3086 -1.1227 -1.1227 -0.6854 -0.6854 1.7857 1.7857 1.8751 1.8751 1.9567 1.9567 2.2669 2.2669 2.3465 2.3465 2.4037 2.4037 8.4075 8.4075 8.7964 8.7964 9.2981 9.2981 9.4522 9.4522 k = 0.0000 0.3966-0.0000 ( 3677 PWs) bands (ev): -16.4117 -16.4117 -15.7955 -15.7955 -10.0367 -10.0367 -9.9870 -9.9870 -4.1956 -4.1956 -3.5015 -3.5015 -2.2751 -2.2751 -1.2495 -1.2495 -1.1473 -1.1473 -0.6573 -0.6573 1.7743 1.7743 1.8881 1.8881 1.9504 1.9504 2.2630 2.2630 2.3493 2.3493 2.4311 2.4311 8.3866 8.3866 8.8135 8.8135 9.2669 9.2669 9.4393 9.4393 k = 0.0000 0.3853-0.0000 ( 3683 PWs) bands (ev): -16.4464 -16.4464 -15.7651 -15.7651 -10.0421 -10.0421 -9.9878 -9.9878 -4.2138 -4.2138 -3.4443 -3.4443 -2.3257 -2.3257 -1.1921 -1.1921 -1.1702 -1.1702 -0.6298 -0.6298 1.7581 1.7581 1.9013 1.9013 1.9522 1.9522 2.2587 2.2587 2.3516 2.3516 2.4589 2.4589 8.3636 8.3636 8.8226 8.8226 9.2380 9.2380 9.4309 9.4309 k = 0.0000 0.3740-0.0000 ( 3683 PWs) bands (ev): -16.4807 -16.4807 -15.7355 -15.7355 -10.0478 -10.0478 -9.9890 -9.9890 -4.2299 -4.2299 -3.3853 -3.3853 -2.3752 -2.3752 -1.1972 -1.1972 -1.1310 -1.1310 -0.6030 -0.6030 1.7378 1.7378 1.9147 1.9147 1.9616 1.9616 2.2542 2.2542 2.3535 2.3535 2.4867 2.4867 8.3375 8.3375 8.8216 8.8216 9.2125 9.2125 9.4296 9.4296 k = 0.0000 0.3626-0.0000 ( 3685 PWs) bands (ev): -16.5145 -16.5145 -15.7066 -15.7066 -10.0535 -10.0535 -9.9905 -9.9905 -4.2438 -4.2438 -3.3248 -3.3248 -2.4236 -2.4236 -1.2211 -1.2211 -1.0731 -1.0731 -0.5770 -0.5770 1.7144 1.7144 1.9288 1.9288 1.9769 1.9769 2.2497 2.2497 2.3551 2.3551 2.5142 2.5142 8.3076 8.3076 8.8089 8.8089 9.1917 9.1917 9.4371 9.4371 k = 0.0000 0.3513-0.0000 ( 3695 PWs) bands (ev): -16.5480 -16.5480 -15.6785 -15.6785 -10.0594 -10.0594 -9.9924 -9.9924 -4.2556 -4.2556 -3.2628 -3.2628 -2.4709 -2.4709 -1.2451 -1.2451 -1.0157 -1.0157 -0.5521 -0.5521 1.6888 1.6888 1.9446 1.9446 1.9967 1.9967 2.2454 2.2454 2.3564 2.3564 2.5415 2.5415 8.2732 8.2732 8.7842 8.7842 9.1766 9.1766 9.4539 9.4539 k = 0.0000 0.3400-0.0000 ( 3703 PWs) bands (ev): -16.5809 -16.5809 -15.6512 -15.6512 -10.0653 -10.0653 -9.9946 -9.9946 -4.2653 -4.2653 -3.1993 -3.1993 -2.5170 -2.5170 -1.2691 -1.2691 -0.9588 -0.9588 -0.5285 -0.5285 1.6617 1.6617 1.9625 1.9625 2.0196 2.0196 2.2413 2.2413 2.3575 2.3575 2.5684 2.5684 8.2337 8.2337 8.7483 8.7483 9.1679 9.1679 9.4795 9.4795 k = 0.0000 0.3286-0.0000 ( 3707 PWs) bands (ev): -16.6133 -16.6133 -15.6248 -15.6248 -10.0712 -10.0712 -9.9971 -9.9971 -4.2730 -4.2730 -3.1344 -3.1344 -2.5619 -2.5619 -1.2930 -1.2930 -0.9027 -0.9027 -0.5063 -0.5063 1.6336 1.6336 1.9826 1.9826 2.0450 2.0450 2.2376 2.2376 2.3583 2.3583 2.5947 2.5947 8.1892 8.1892 8.7028 8.7028 9.1659 9.1659 9.5124 9.5124 k = 0.0000 0.3173-0.0000 ( 3713 PWs) bands (ev): -16.6451 -16.6451 -15.5993 -15.5993 -10.0772 -10.0772 -9.9999 -9.9999 -4.2787 -4.2787 -3.0683 -3.0683 -2.6056 -2.6056 -1.3169 -1.3169 -0.8475 -0.8475 -0.4858 -0.4858 1.6048 1.6048 2.0052 2.0052 2.0726 2.0726 2.2343 2.2343 2.3589 2.3589 2.6206 2.6206 8.1396 8.1396 8.6495 8.6495 9.1707 9.1707 9.5513 9.5513 k = 0.0000 0.3060-0.0000 ( 3707 PWs) bands (ev): -16.6762 -16.6762 -15.5746 -15.5746 -10.0831 -10.0831 -10.0030 -10.0030 -4.2825 -4.2825 -3.0009 -3.0009 -2.6480 -2.6480 -1.3408 -1.3408 -0.7932 -0.7932 -0.4670 -0.4670 1.5757 1.5757 2.0299 2.0299 2.1020 2.1020 2.2316 2.2316 2.3594 2.3594 2.6458 2.6458 8.0854 8.0854 8.5901 8.5901 9.1822 9.1822 9.5945 9.5945 k = 0.0000 0.2946-0.0000 ( 3699 PWs) bands (ev): -16.7067 -16.7067 -15.5509 -15.5509 -10.0890 -10.0890 -10.0063 -10.0063 -4.2844 -4.2844 -2.9324 -2.9324 -2.6891 -2.6891 -1.3647 -1.3647 -0.7400 -0.7400 -0.4503 -0.4503 1.5462 1.5462 2.0567 2.0567 2.1330 2.1330 2.2298 2.2298 2.3598 2.3598 2.6704 2.6704 8.0271 8.0271 8.5259 8.5259 9.1999 9.1999 9.6409 9.6409 k = 0.0000 0.2833-0.0000 ( 3705 PWs) bands (ev): -16.7363 -16.7363 -15.5281 -15.5281 -10.0949 -10.0949 -10.0098 -10.0098 -4.2845 -4.2845 -2.8629 -2.8629 -2.7288 -2.7288 -1.3885 -1.3885 -0.6880 -0.6880 -0.4357 -0.4357 1.5167 1.5167 2.0852 2.0852 2.1654 2.1654 2.2292 2.2292 2.3602 2.3602 2.6944 2.6944 7.9653 7.9653 8.4582 8.4582 9.2233 9.2233 9.6894 9.6894 k = 0.0000 0.2720-0.0000 ( 3709 PWs) bands (ev): -16.7652 -16.7652 -15.5062 -15.5062 -10.1007 -10.1007 -10.0135 -10.0135 -4.2829 -4.2829 -2.7926 -2.7926 -2.7670 -2.7670 -1.4123 -1.4123 -0.6374 -0.6374 -0.4233 -0.4233 1.4871 1.4871 2.1144 2.1144 2.1986 2.1986 2.2310 2.2310 2.3609 2.3609 2.7176 2.7176 7.9006 7.9006 8.3879 8.3879 9.2519 9.2519 9.7391 9.7391 k = 0.0000 0.2606-0.0000 ( 3705 PWs) bands (ev): -16.7933 -16.7933 -15.4853 -15.4853 -10.1064 -10.1064 -10.0174 -10.0174 -4.2797 -4.2797 -2.8043 -2.8043 -2.7211 -2.7211 -1.4360 -1.4360 -0.5881 -0.5881 -0.4135 -0.4135 1.4576 1.4576 2.1424 2.1424 2.2296 2.2296 2.2393 2.2393 2.3622 2.3622 2.7401 2.7401 7.8337 7.8337 8.3159 8.3159 9.2850 9.2850 9.7893 9.7893 k = 0.0000 0.2493-0.0000 ( 3703 PWs) bands (ev): -16.8204 -16.8204 -15.4653 -15.4653 -10.1120 -10.1120 -10.0213 -10.0213 -4.2750 -4.2750 -2.8399 -2.8399 -2.6492 -2.6492 -1.4597 -1.4597 -0.5403 -0.5403 -0.4061 -0.4061 1.4282 1.4282 2.1658 2.1658 2.2469 2.2469 2.2682 2.2682 2.3650 2.3650 2.7618 2.7618 7.7652 7.7652 8.2429 8.2429 9.3222 9.3222 9.8393 9.8393 k = 0.0000 0.2380-0.0000 ( 3699 PWs) bands (ev): -16.8466 -16.8466 -15.4463 -15.4463 -10.1175 -10.1175 -10.0254 -10.0254 -4.2689 -4.2689 -2.8740 -2.8740 -2.5767 -2.5767 -1.4832 -1.4832 -0.4942 -0.4942 -0.4013 -0.4013 1.3991 1.3991 2.1808 2.1808 2.2703 2.2703 2.2987 2.2987 2.3718 2.3718 2.7827 2.7827 7.6955 7.6955 8.1694 8.1694 9.3627 9.3627 9.8887 9.8887 k = 0.0000 0.2266-0.0000 ( 3695 PWs) bands (ev): -16.8719 -16.8719 -15.4283 -15.4283 -10.1228 -10.1228 -10.0295 -10.0295 -4.2615 -4.2615 -2.9067 -2.9067 -2.5037 -2.5037 -1.5066 -1.5066 -0.4499 -0.4499 -0.3991 -0.3991 1.3704 1.3704 2.1888 2.1888 2.3015 2.3015 2.3227 2.3227 2.3873 2.3873 2.8028 2.8028 7.6252 7.6252 8.0961 8.0961 9.4062 9.4062 9.9368 9.9368 k = 0.0000 0.2153-0.0000 ( 3703 PWs) bands (ev): -16.8962 -16.8962 -15.4112 -15.4112 -10.1280 -10.1280 -10.0336 -10.0336 -4.2529 -4.2529 -2.9379 -2.9379 -2.4304 -2.4304 -1.5297 -1.5297 -0.4097 -0.4097 -0.3974 -0.3974 1.3421 1.3421 2.1929 2.1929 2.3266 2.3266 2.3475 2.3475 2.4145 2.4145 2.8221 2.8221 7.5548 7.5548 8.0234 8.0234 9.4520 9.4520 9.9833 9.9833 k = 0.0000 0.2040-0.0000 ( 3703 PWs) bands (ev): -16.9194 -16.9194 -15.3951 -15.3951 -10.1330 -10.1330 -10.0378 -10.0378 -4.2433 -4.2433 -2.9677 -2.9677 -2.3568 -2.3568 -1.5525 -1.5525 -0.4049 -0.4049 -0.3649 -0.3649 1.3144 1.3144 2.1955 2.1955 2.3337 2.3337 2.3867 2.3867 2.4491 2.4491 2.8405 2.8405 7.4847 7.4847 7.9519 7.9519 9.4997 9.4997 10.0277 10.0277 k = 0.0000 0.1926-0.0000 ( 3703 PWs) bands (ev): -16.9416 -16.9416 -15.3799 -15.3799 -10.1378 -10.1378 -10.0419 -10.0419 -4.2329 -4.2329 -2.9959 -2.9959 -2.2833 -2.2833 -1.5750 -1.5750 -0.4110 -0.4110 -0.3263 -0.3263 1.2874 1.2874 2.1974 2.1974 2.3357 2.3357 2.4299 2.4299 2.4869 2.4869 2.8580 2.8580 7.4152 7.4152 7.8818 7.8818 9.5488 9.5488 10.0696 10.0696 k = 0.0000 0.1813-0.0000 ( 3705 PWs) bands (ev): -16.9626 -16.9626 -15.3656 -15.3656 -10.1424 -10.1424 -10.0460 -10.0460 -4.2217 -4.2217 -3.0226 -3.0226 -2.2098 -2.2098 -1.5970 -1.5970 -0.4202 -0.4202 -0.2894 -0.2894 1.2611 1.2611 2.1991 2.1991 2.3361 2.3361 2.4745 2.4745 2.5262 2.5262 2.8746 2.8746 7.3469 7.3469 7.8136 7.8136 9.5987 9.5987 10.1088 10.1088 k = 0.0000 0.1700-0.0000 ( 3705 PWs) bands (ev): -16.9826 -16.9826 -15.3523 -15.3523 -10.1468 -10.1468 -10.0500 -10.0500 -4.2099 -4.2099 -3.0477 -3.0477 -2.1366 -2.1366 -1.6185 -1.6185 -0.4323 -0.4323 -0.2545 -0.2545 1.2357 1.2357 2.2007 2.2007 2.3358 2.3358 2.5194 2.5194 2.5663 2.5663 2.8904 2.8904 7.2800 7.2800 7.7476 7.7476 9.6489 9.6489 10.1449 10.1449 k = 0.0000 0.1587-0.0000 ( 3695 PWs) bands (ev): -17.0014 -17.0014 -15.3400 -15.3400 -10.1509 -10.1509 -10.0538 -10.0538 -4.1978 -4.1978 -3.0713 -3.0713 -2.0638 -2.0638 -1.6394 -1.6394 -0.4471 -0.4471 -0.2216 -0.2216 1.2113 1.2113 2.2024 2.2024 2.3350 2.3350 2.5638 2.5638 2.6069 2.6069 2.9052 2.9052 7.2149 7.2149 7.6842 7.6842 9.6991 9.6991 10.1778 10.1778 k = 0.0000 0.1473-0.0000 ( 3699 PWs) bands (ev): -17.0190 -17.0190 -15.3285 -15.3285 -10.1549 -10.1549 -10.0575 -10.0575 -4.1854 -4.1854 -3.0934 -3.0934 -1.9917 -1.9917 -1.6595 -1.6595 -0.4648 -0.4648 -0.1909 -0.1909 1.1880 1.1880 2.2042 2.2042 2.3340 2.3340 2.6067 2.6067 2.6481 2.6481 2.9191 2.9191 7.1519 7.1519 7.6237 7.6237 9.7486 9.7486 10.2074 10.2074 k = 0.0000 0.1360-0.0000 ( 3703 PWs) bands (ev): -17.0354 -17.0354 -15.3180 -15.3180 -10.1585 -10.1585 -10.0611 -10.0611 -4.1730 -4.1730 -3.1138 -3.1138 -1.9205 -1.9205 -1.6788 -1.6788 -0.4851 -0.4851 -0.1623 -0.1623 1.1659 1.1659 2.2061 2.2061 2.3329 2.3329 2.6474 2.6474 2.6897 2.6897 2.9320 2.9320 7.0915 7.0915 7.5664 7.5664 9.7969 9.7969 10.2335 10.2335 k = 0.0000 0.1247-0.0000 ( 3715 PWs) bands (ev): -17.0506 -17.0506 -15.3083 -15.3083 -10.1619 -10.1619 -10.0644 -10.0644 -4.1607 -4.1607 -3.1326 -3.1326 -1.8505 -1.8505 -1.6970 -1.6970 -0.5079 -0.5079 -0.1360 -0.1360 1.1451 1.1451 2.2081 2.2081 2.3317 2.3317 2.6853 2.6853 2.7314 2.7314 2.9441 2.9441 7.0340 7.0340 7.5125 7.5125 9.8436 9.8436 10.2562 10.2562 k = 0.0000 0.1133-0.0000 ( 3715 PWs) bands (ev): -17.0645 -17.0645 -15.2996 -15.2996 -10.1651 -10.1651 -10.0676 -10.0676 -4.1487 -4.1487 -3.1499 -3.1499 -1.7820 -1.7820 -1.7140 -1.7140 -0.5330 -0.5330 -0.1119 -0.1119 1.1258 1.1258 2.2101 2.2101 2.3306 2.3306 2.7204 2.7204 2.7725 2.7725 2.9552 2.9552 6.9798 6.9798 7.4624 7.4624 9.8882 9.8882 10.2756 10.2756 k = 0.0000 0.1020-0.0000 ( 3719 PWs) bands (ev): -17.0771 -17.0771 -15.2917 -15.2917 -10.1679 -10.1679 -10.0705 -10.0705 -4.1372 -4.1372 -3.1655 -3.1655 -1.7326 -1.7326 -1.7124 -1.7124 -0.5602 -0.5602 -0.0901 -0.0901 1.1080 1.1080 2.2121 2.2121 2.3294 2.3294 2.7525 2.7525 2.8123 2.8123 2.9654 2.9654 6.9292 6.9292 7.4163 7.4163 9.9302 9.9302 10.2920 10.2920 k = 0.0000 0.0907-0.0000 ( 3713 PWs) bands (ev): -17.0885 -17.0885 -15.2846 -15.2846 -10.1705 -10.1705 -10.0731 -10.0731 -4.1264 -4.1264 -3.1795 -3.1795 -1.7458 -1.7458 -1.6492 -1.6492 -0.5892 -0.5892 -0.0705 -0.0705 1.0919 1.0919 2.2141 2.2141 2.3284 2.3284 2.7817 2.7817 2.8500 2.8500 2.9747 2.9747 6.8827 6.8827 7.3743 7.3743 9.9691 9.9691 10.3054 10.3054 k = 0.0000 0.0793-0.0000 ( 3715 PWs) bands (ev): -17.0986 -17.0986 -15.2784 -15.2784 -10.1728 -10.1728 -10.0755 -10.0755 -4.1163 -4.1163 -3.1918 -3.1918 -1.7590 -1.7590 -1.5871 -1.5871 -0.6196 -0.6196 -0.0533 -0.0533 1.0774 1.0774 2.2160 2.2160 2.3274 2.3274 2.8077 2.8077 2.8849 2.8849 2.9831 2.9831 6.8405 6.8405 7.3368 7.3368 10.0045 10.0045 10.3163 10.3163 k = 0.0000 0.0680-0.0000 ( 3715 PWs) bands (ev): -17.1073 -17.1073 -15.2731 -15.2731 -10.1748 -10.1748 -10.0776 -10.0776 -4.1073 -4.1073 -3.2026 -3.2026 -1.7708 -1.7708 -1.5283 -1.5283 -0.6507 -0.6507 -0.0383 -0.0383 1.0647 1.0647 2.2177 2.2177 2.3265 2.3265 2.8306 2.8306 2.9164 2.9164 2.9906 2.9906 6.8031 6.8031 7.3038 7.3038 10.0360 10.0360 10.3249 10.3249 k = 0.0000 0.0567-0.0000 ( 3699 PWs) bands (ev): -17.1147 -17.1147 -15.2686 -15.2686 -10.1765 -10.1765 -10.0794 -10.0794 -4.0994 -4.0994 -3.2116 -3.2116 -1.7810 -1.7810 -1.4738 -1.4738 -0.6817 -0.6817 -0.0256 -0.0256 1.0539 1.0539 2.2193 2.2193 2.3257 2.3257 2.8502 2.8502 2.9439 2.9439 2.9971 2.9971 6.7707 6.7707 7.2756 7.2756 10.0633 10.0633 10.3315 10.3315 k = 0.0000 0.0453-0.0000 ( 3707 PWs) bands (ev): -17.1208 -17.1208 -15.2649 -15.2649 -10.1779 -10.1779 -10.0809 -10.0809 -4.0927 -4.0927 -3.2191 -3.2191 -1.7894 -1.7894 -1.4247 -1.4247 -0.7114 -0.7114 -0.0153 -0.0153 1.0450 1.0450 2.2206 2.2206 2.3250 2.3250 2.8663 2.8663 2.9670 2.9670 3.0028 3.0028 6.7437 6.7437 7.2524 7.2524 10.0860 10.0860 10.3364 10.3364 k = 0.0000 0.0340-0.0000 ( 3715 PWs) bands (ev): -17.1256 -17.1256 -15.2621 -15.2621 -10.1790 -10.1790 -10.0821 -10.0821 -4.0874 -4.0874 -3.2249 -3.2249 -1.7961 -1.7961 -1.3828 -1.3828 -0.7382 -0.7382 -0.0072 -0.0072 1.0380 1.0380 2.2216 2.2216 2.3245 2.3245 2.8789 2.8789 2.9851 2.9851 3.0076 3.0076 6.7225 6.7225 7.2341 7.2341 10.1039 10.1039 10.3399 10.3399 k = 0.0000 0.0227-0.0000 ( 3711 PWs) bands (ev): -17.1290 -17.1290 -15.2601 -15.2601 -10.1798 -10.1798 -10.0829 -10.0829 -4.0836 -4.0836 -3.2290 -3.2290 -1.8009 -1.8009 -1.3501 -1.3501 -0.7601 -0.7601 -0.0015 -0.0015 1.0330 1.0330 2.2224 2.2224 2.3241 2.3241 2.8879 2.8879 2.9976 2.9976 3.0117 3.0117 6.7071 6.7071 7.2211 7.2211 10.1169 10.1169 10.3423 10.3423 k = 0.0000 0.0113-0.0000 ( 3707 PWs) bands (ev): -17.1310 -17.1310 -15.2589 -15.2589 -10.1803 -10.1803 -10.0834 -10.0834 -4.0812 -4.0812 -3.2315 -3.2315 -1.8038 -1.8038 -1.3292 -1.3292 -0.7746 -0.7746 0.0020 0.0020 1.0300 1.0300 2.2229 2.2229 2.3239 2.3239 2.8933 2.8933 3.0042 3.0042 3.0152 3.0152 6.6978 6.6978 7.2132 7.2132 10.1247 10.1247 10.3436 10.3436 k = 0.0000 0.0000 0.0000 ( 3719 PWs) bands (ev): -17.1317 -17.1317 -15.2585 -15.2585 -10.1804 -10.1804 -10.0836 -10.0836 -4.0805 -4.0805 -3.2323 -3.2323 -1.8048 -1.8048 -1.3219 -1.3219 -0.7797 -0.7797 0.0031 0.0031 1.0290 1.0290 2.2231 2.2231 2.3238 2.3238 2.8951 2.8951 3.0061 3.0061 3.0167 3.0167 6.6947 6.6947 7.2105 7.2105 10.1273 10.1273 10.3440 10.3440 k = 0.0000 0.0000 0.0000 ( 3719 PWs) bands (ev): -17.1317 -17.1317 -15.2585 -15.2585 -10.1804 -10.1804 -10.0836 -10.0836 -4.0805 -4.0805 -3.2323 -3.2323 -1.8048 -1.8048 -1.3219 -1.3219 -0.7797 -0.7797 0.0031 0.0031 1.0290 1.0290 2.2231 2.2231 2.3238 2.3238 2.8951 2.8951 3.0061 3.0061 3.0167 3.0167 6.6947 6.6947 7.2105 7.2105 10.1273 10.1273 10.3440 10.3440 k = 0.0000 0.0000 0.0112 ( 3711 PWs) bands (ev): -17.1317 -17.1317 -15.2585 -15.2585 -10.1817 -10.1817 -10.0823 -10.0823 -4.0805 -4.0805 -3.2323 -3.2323 -1.8056 -1.8056 -1.3219 -1.3219 -0.7792 -0.7792 0.0031 0.0031 1.0309 1.0309 2.2218 2.2218 2.3251 2.3251 2.8925 2.8925 3.0003 3.0003 3.0224 3.0224 6.6970 6.6970 7.2106 7.2106 10.1264 10.1264 10.3422 10.3422 k = 0.0000 0.0000 0.0224 ( 3711 PWs) bands (ev): -17.1317 -17.1317 -15.2585 -15.2585 -10.1852 -10.1852 -10.0786 -10.0786 -4.0804 -4.0804 -3.2323 -3.2323 -1.8079 -1.8079 -1.3219 -1.3219 -0.7780 -0.7780 0.0031 0.0031 1.0366 1.0366 2.2183 2.2183 2.3288 2.3288 2.8847 2.8847 2.9911 2.9911 3.0313 3.0313 6.7041 6.7041 7.2108 7.2108 10.1234 10.1234 10.3366 10.3366 k = 0.0000 0.0000 0.0336 ( 3715 PWs) bands (ev): -17.1317 -17.1317 -15.2585 -15.2585 -10.1906 -10.1906 -10.0730 -10.0730 -4.0804 -4.0804 -3.2323 -3.2323 -1.8116 -1.8116 -1.3219 -1.3219 -0.7760 -0.7760 0.0030 0.0030 1.0460 1.0460 2.2130 2.2130 2.3343 2.3343 2.8719 2.8719 2.9812 2.9812 3.0407 3.0407 6.7156 6.7156 7.2111 7.2111 10.1185 10.1185 10.3276 10.3276 k = 0.0000 0.0000 0.0448 ( 3711 PWs) bands (ev): -17.1317 -17.1317 -15.2585 -15.2585 -10.1972 -10.1972 -10.0661 -10.0661 -4.0804 -4.0804 -3.2323 -3.2323 -1.8166 -1.8166 -1.3219 -1.3219 -0.7733 -0.7733 0.0030 0.0030 1.0591 1.0591 2.2064 2.2064 2.3413 2.3413 2.8541 2.8541 2.9710 2.9710 3.0502 3.0502 6.7315 6.7315 7.2116 7.2116 10.1114 10.1114 10.3154 10.3154 k = 0.0000 0.0000 0.0560 ( 3703 PWs) bands (ev): -17.1316 -17.1316 -15.2585 -15.2585 -10.2046 -10.2046 -10.0583 -10.0583 -4.0804 -4.0804 -3.2322 -3.2322 -1.8229 -1.8229 -1.3220 -1.3220 -0.7700 -0.7700 0.0029 0.0029 1.0758 1.0758 2.1990 2.1990 2.3490 2.3490 2.8316 2.8316 2.9609 2.9609 3.0596 3.0596 6.7513 6.7513 7.2122 7.2122 10.1020 10.1020 10.3006 10.3006 k = 0.0000 0.0000 0.0672 ( 3711 PWs) bands (ev): -17.1316 -17.1316 -15.2585 -15.2585 -10.2123 -10.2123 -10.0501 -10.0501 -4.0804 -4.0804 -3.2322 -3.2322 -1.8302 -1.8302 -1.3220 -1.3220 -0.7661 -0.7661 0.0028 0.0028 1.0959 1.0959 2.1913 2.1913 2.3573 2.3573 2.8046 2.8046 2.9510 2.9510 3.0689 3.0689 6.7746 6.7746 7.2128 7.2128 10.0901 10.0901 10.2839 10.2839 k = 0.0000 0.0000 0.0784 ( 3719 PWs) bands (ev): -17.1316 -17.1316 -15.2585 -15.2585 -10.2203 -10.2203 -10.0417 -10.0417 -4.0804 -4.0804 -3.2322 -3.2322 -1.8382 -1.8382 -1.3220 -1.3220 -0.7620 -0.7620 0.0027 0.0027 1.1192 1.1192 2.1833 2.1833 2.3657 2.3657 2.7734 2.7734 2.9414 2.9414 3.0780 3.0780 6.8011 6.8011 7.2135 7.2135 10.0756 10.0756 10.2660 10.2660 k = 0.0000 0.0000 0.0897 ( 3712 PWs) bands (ev): -17.1316 -17.1316 -15.2585 -15.2585 -10.2281 -10.2281 -10.0333 -10.0333 -4.0804 -4.0804 -3.2321 -3.2321 -1.8469 -1.8469 -1.3221 -1.3221 -0.7575 -0.7575 0.0025 0.0025 1.1455 1.1455 2.1754 2.1754 2.3742 2.3742 2.7386 2.7386 2.9323 2.9323 3.0868 3.0868 6.8300 6.8300 7.2142 7.2142 10.0581 10.0581 10.2477 10.2477 k = 0.0000 0.0000 0.1009 ( 3712 PWs) bands (ev): -17.1316 -17.1316 -15.2585 -15.2585 -10.2358 -10.2358 -10.0251 -10.0251 -4.0803 -4.0803 -3.2321 -3.2321 -1.8560 -1.8560 -1.3221 -1.3221 -0.7530 -0.7530 0.0024 0.0024 1.1746 1.1746 2.1677 2.1677 2.3825 2.3825 2.7005 2.7005 2.9237 2.9237 3.0952 3.0952 6.8609 6.8609 7.2149 7.2149 10.0378 10.0378 10.2300 10.2300 k = 0.0000 0.0000 0.1121 ( 3708 PWs) bands (ev): -17.1316 -17.1316 -15.2585 -15.2585 -10.2431 -10.2431 -10.0172 -10.0172 -4.0803 -4.0803 -3.2321 -3.2321 -1.8653 -1.8653 -1.3222 -1.3222 -0.7484 -0.7484 0.0023 0.0023 1.2061 1.2061 2.1602 2.1602 2.3905 2.3905 2.6597 2.6597 2.9157 2.9157 3.1032 3.1032 6.8931 6.8931 7.2155 7.2155 10.0147 10.0147 10.2133 10.2133 k = 0.0000 0.0000 0.1233 ( 3710 PWs) bands (ev): -17.1316 -17.1316 -15.2585 -15.2585 -10.2500 -10.2500 -10.0097 -10.0097 -4.0803 -4.0803 -3.2320 -3.2320 -1.8745 -1.8745 -1.3222 -1.3222 -0.7439 -0.7439 0.0021 0.0021 1.2396 1.2396 2.1531 2.1531 2.3980 2.3980 2.6170 2.6170 2.9082 2.9082 3.1108 3.1108 6.9261 6.9261 7.2160 7.2160 9.9893 9.9893 10.1980 10.1980 k = 0.0000 0.0000 0.1345 ( 3720 PWs) bands (ev): -17.1316 -17.1316 -15.2585 -15.2585 -10.2565 -10.2565 -10.0026 -10.0026 -4.0803 -4.0803 -3.2320 -3.2320 -1.8835 -1.8835 -1.3223 -1.3223 -0.7396 -0.7396 0.0020 0.0020 1.2747 1.2747 2.1465 2.1465 2.4049 2.4049 2.5731 2.5731 2.9014 2.9014 3.1177 3.1177 6.9590 6.9590 7.2164 7.2164 9.9624 9.9624 10.1845 10.1845 k = 0.0000 0.0000 0.1457 ( 3716 PWs) bands (ev): -17.1315 -17.1315 -15.2585 -15.2585 -10.2624 -10.2624 -9.9961 -9.9961 -4.0803 -4.0803 -3.2319 -3.2319 -1.8921 -1.8921 -1.3223 -1.3223 -0.7356 -0.7356 0.0018 0.0018 1.3107 1.3107 2.1403 2.1403 2.4112 2.4112 2.5288 2.5288 2.8953 2.8953 3.1241 3.1241 6.9913 6.9913 7.2165 7.2165 9.9349 9.9349 10.1726 10.1726 k = 0.0000 0.0000 0.1569 ( 3708 PWs) bands (ev): -17.1315 -17.1315 -15.2585 -15.2585 -10.2677 -10.2677 -9.9903 -9.9903 -4.0802 -4.0802 -3.2319 -3.2319 -1.9001 -1.9001 -1.3224 -1.3224 -0.7319 -0.7319 0.0017 0.0017 1.3471 1.3471 2.1346 2.1346 2.4162 2.4162 2.4855 2.4855 2.8898 2.8898 3.1299 3.1299 7.0224 7.0224 7.2163 7.2163 9.9078 9.9078 10.1623 10.1623 k = 0.0000 0.0000 0.1681 ( 3708 PWs) bands (ev): -17.1315 -17.1315 -15.2585 -15.2585 -10.2724 -10.2724 -9.9851 -9.9851 -4.0802 -4.0802 -3.2319 -3.2319 -1.9073 -1.9073 -1.3224 -1.3224 -0.7286 -0.7286 0.0016 0.0016 1.3830 1.3830 2.1295 2.1295 2.4173 2.4173 2.4469 2.4469 2.8850 2.8850 3.1349 3.1349 7.0515 7.0515 7.2157 7.2157 9.8819 9.8819 10.1535 10.1535 k = 0.0000 0.0000 0.1793 ( 3708 PWs) bands (ev): -17.1315 -17.1315 -15.2585 -15.2585 -10.2764 -10.2764 -9.9806 -9.9806 -4.0802 -4.0802 -3.2318 -3.2318 -1.9137 -1.9137 -1.3224 -1.3224 -0.7257 -0.7257 0.0015 0.0015 1.4173 1.4173 2.1249 2.1249 2.3957 2.3957 2.4328 2.4328 2.8809 2.8809 3.1393 3.1393 7.0781 7.0781 7.2147 7.2147 9.8583 9.8583 10.1462 10.1462 k = 0.0000 0.0000 0.1905 ( 3704 PWs) bands (ev): -17.1315 -17.1315 -15.2585 -15.2585 -10.2797 -10.2797 -9.9769 -9.9769 -4.0802 -4.0802 -3.2318 -3.2318 -1.9191 -1.9191 -1.3224 -1.3224 -0.7233 -0.7233 0.0014 0.0014 1.4487 1.4487 2.1209 2.1209 2.3619 2.3619 2.4342 2.4342 2.8776 2.8776 3.1429 3.1429 7.1016 7.1016 7.2130 7.2130 9.8378 9.8378 10.1402 10.1402 k = 0.0000 0.0000 0.2017 ( 3702 PWs) bands (ev): -17.1315 -17.1315 -15.2585 -15.2585 -10.2823 -10.2823 -9.9740 -9.9740 -4.0802 -4.0802 -3.2318 -3.2318 -1.9233 -1.9233 -1.3225 -1.3225 -0.7215 -0.7215 0.0014 0.0014 1.4758 1.4758 2.1175 2.1175 2.3319 2.3319 2.4365 2.4365 2.8749 2.8749 3.1457 3.1457 7.1215 7.1215 7.2108 7.2108 9.8211 9.8211 10.1356 10.1356 k = 0.0000 0.0000 0.2129 ( 3706 PWs) bands (ev): -17.1315 -17.1315 -15.2585 -15.2585 -10.2842 -10.2842 -9.9719 -9.9719 -4.0802 -4.0802 -3.2318 -3.2318 -1.9265 -1.9265 -1.3225 -1.3225 -0.7201 -0.7201 0.0013 0.0013 1.4968 1.4968 2.1148 2.1148 2.3088 2.3088 2.4384 2.4384 2.8731 2.8731 3.1477 3.1477 7.1370 7.1370 7.2082 7.2082 9.8087 9.8087 10.1323 10.1323 k = 0.0000 0.0000 0.2241 ( 3704 PWs) bands (ev): -17.1315 -17.1315 -15.2585 -15.2585 -10.2853 -10.2853 -9.9706 -9.9706 -4.0802 -4.0802 -3.2317 -3.2317 -1.9283 -1.9283 -1.3225 -1.3225 -0.7193 -0.7193 0.0013 0.0013 1.5102 1.5102 2.1131 2.1131 2.2942 2.2942 2.4395 2.4395 2.8719 2.8719 3.1489 3.1489 7.1473 7.1473 7.2059 7.2059 9.8011 9.8011 10.1304 10.1304 k = 0.0000 0.0000 0.2353 ( 3704 PWs) bands (ev): -17.1315 -17.1315 -15.2585 -15.2585 -10.2857 -10.2857 -9.9702 -9.9702 -4.0802 -4.0802 -3.2317 -3.2317 -1.9290 -1.9290 -1.3225 -1.3225 -0.7190 -0.7190 0.0013 0.0013 1.5148 1.5148 2.1125 2.1125 2.2892 2.2892 2.4399 2.4399 2.8715 2.8715 3.1493 3.1493 7.1509 7.1509 7.2049 7.2049 9.7985 9.7985 10.1297 10.1297 k = 0.0000 0.0000 0.2353 ( 3704 PWs) bands (ev): -17.1315 -17.1315 -15.2585 -15.2585 -10.2857 -10.2857 -9.9702 -9.9702 -4.0802 -4.0802 -3.2317 -3.2317 -1.9290 -1.9290 -1.3225 -1.3225 -0.7190 -0.7190 0.0013 0.0013 1.5148 1.5148 2.1125 2.1125 2.2892 2.2892 2.4399 2.4399 2.8715 2.8715 3.1493 3.1493 7.1509 7.1509 7.2049 7.2049 9.7985 9.7985 10.1297 10.1297 k = 0.0114-0.0000 0.2353 ( 3708 PWs) bands (ev): -17.1309 -17.1309 -15.2590 -15.2590 -10.2854 -10.2854 -9.9700 -9.9700 -4.0794 -4.0794 -3.2326 -3.2326 -1.9280 -1.9280 -1.3234 -1.3234 -0.7241 -0.7241 0.0039 0.0039 1.5124 1.5124 2.1125 2.1125 2.2849 2.2849 2.4415 2.4415 2.8717 2.8717 3.1494 3.1494 7.1536 7.1536 7.2090 7.2090 9.8020 9.8020 10.1341 10.1341 k = 0.0227-0.0000 0.2353 ( 3710 PWs) bands (ev): -17.1290 -17.1290 -15.2606 -15.2606 -10.2843 -10.2843 -9.9694 -9.9694 -4.0771 -4.0771 -3.2350 -3.2350 -1.9250 -1.9250 -1.3263 -1.3263 -0.7391 -0.7391 0.0116 0.0116 1.5053 1.5053 2.1124 2.1124 2.2725 2.2725 2.4456 2.4456 2.8720 2.8720 3.1498 3.1498 7.1616 7.1616 7.2212 7.2212 9.8125 9.8125 10.1472 10.1472 k = 0.0341-0.0000 0.2353 ( 3712 PWs) bands (ev): -17.1260 -17.1260 -15.2633 -15.2633 -10.2825 -10.2825 -9.9683 -9.9683 -4.0733 -4.0733 -3.2390 -3.2390 -1.9202 -1.9202 -1.3310 -1.3310 -0.7633 -0.7633 0.0234 0.0234 1.4934 1.4934 2.1122 2.1122 2.2535 2.2535 2.4514 2.4514 2.8725 2.8725 3.1503 3.1503 7.1748 7.1748 7.2414 7.2414 9.8298 9.8298 10.1689 10.1689 k = 0.0455-0.0000 0.2353 ( 3712 PWs) bands (ev): -17.1217 -17.1217 -15.2670 -15.2670 -10.2801 -10.2801 -9.9669 -9.9669 -4.0679 -4.0679 -3.2445 -3.2445 -1.9135 -1.9135 -1.3376 -1.3376 -0.7955 -0.7955 0.0383 0.0383 1.4771 1.4771 2.1115 2.1115 2.2293 2.2293 2.4577 2.4577 2.8732 2.8732 3.1511 3.1511 7.1930 7.1930 7.2693 7.2693 9.8539 9.8539 10.1990 10.1990 k = 0.0568-0.0000 0.2353 ( 3718 PWs) bands (ev): -17.1162 -17.1162 -15.2718 -15.2718 -10.2769 -10.2769 -9.9651 -9.9651 -4.0611 -4.0611 -3.2514 -3.2514 -1.9050 -1.9050 -1.3460 -1.3460 -0.8345 -0.8345 0.0549 0.0549 1.4566 1.4566 2.1093 2.1093 2.2020 2.2020 2.4641 2.4641 2.8742 2.8742 3.1520 3.1520 7.2160 7.2160 7.3049 7.3049 9.8846 9.8846 10.2371 10.2371 k = 0.0682-0.0000 0.2353 ( 3710 PWs) bands (ev): -17.1095 -17.1095 -15.2776 -15.2776 -10.2731 -10.2731 -9.9629 -9.9629 -4.0527 -4.0527 -3.2596 -3.2596 -1.8949 -1.8949 -1.3564 -1.3564 -0.8792 -0.8792 0.0720 0.0720 1.4324 1.4324 2.1024 2.1024 2.1754 2.1754 2.4702 2.4702 2.8754 2.8754 3.1532 3.1532 7.2434 7.2434 7.3476 7.3476 9.9215 9.9215 10.2829 10.2829 k = 0.0795-0.0000 0.2353 ( 3706 PWs) bands (ev): -17.1017 -17.1017 -15.2845 -15.2845 -10.2686 -10.2686 -9.9603 -9.9603 -4.0428 -4.0428 -3.2688 -3.2688 -1.8832 -1.8832 -1.3686 -1.3686 -0.9287 -0.9287 0.0885 0.0885 1.4048 1.4048 2.0842 2.0842 2.1568 2.1568 2.4759 2.4759 2.8769 2.8769 3.1545 3.1545 7.2750 7.2750 7.3972 7.3972 9.9643 9.9643 10.3358 10.3358 k = 0.0909-0.0000 0.2353 ( 3702 PWs) bands (ev): -17.0926 -17.0926 -15.2924 -15.2924 -10.2634 -10.2634 -9.9574 -9.9574 -4.0314 -4.0314 -3.2790 -3.2790 -1.8702 -1.8702 -1.3826 -1.3826 -0.9820 -0.9820 0.1033 0.1033 1.3746 1.3746 2.0518 2.0518 2.1496 2.1496 2.4810 2.4810 2.8786 2.8786 3.1561 3.1561 7.3103 7.3103 7.4533 7.4533 10.0128 10.0128 10.3951 10.3951 k = 0.1023-0.0000 0.2353 ( 3702 PWs) bands (ev): -17.0824 -17.0824 -15.3014 -15.3014 -10.2576 -10.2576 -9.9541 -9.9541 -4.0185 -4.0185 -3.2899 -3.2899 -1.8560 -1.8560 -1.3985 -1.3985 -1.0385 -1.0385 0.1155 0.1155 1.3424 1.3424 2.0102 2.0102 2.1493 2.1493 2.4856 2.4856 2.8806 2.8806 3.1578 3.1578 7.3490 7.3490 7.5154 7.5154 10.0664 10.0664 10.4600 10.4600 k = 0.1136-0.0000 0.2353 ( 3700 PWs) bands (ev): -17.0709 -17.0709 -15.3115 -15.3115 -10.2511 -10.2511 -9.9506 -9.9506 -4.0041 -4.0041 -3.3013 -3.3013 -1.8406 -1.8406 -1.4162 -1.4162 -1.0975 -1.0975 0.1242 0.1242 1.3089 1.3089 1.9634 1.9634 2.1523 2.1523 2.4898 2.4898 2.8829 2.8829 3.1596 3.1596 7.3905 7.3905 7.5831 7.5831 10.1247 10.1247 10.5294 10.5294 k = 0.1250-0.0000 0.2353 ( 3706 PWs) bands (ev): -17.0584 -17.0584 -15.3225 -15.3225 -10.2441 -10.2441 -9.9467 -9.9467 -3.9882 -3.9882 -3.3132 -3.3132 -1.8243 -1.8243 -1.4357 -1.4357 -1.1587 -1.1587 0.1288 0.1288 1.2751 1.2751 1.9133 1.9133 2.1571 2.1571 2.4936 2.4936 2.8855 2.8855 3.1615 3.1615 7.4345 7.4345 7.6559 7.6559 10.1872 10.1872 10.6020 10.6020 k = 0.1364-0.0000 0.2353 ( 3708 PWs) bands (ev): -17.0447 -17.0447 -15.3347 -15.3347 -10.2365 -10.2365 -9.9426 -9.9426 -3.9709 -3.9709 -3.3252 -3.3252 -1.8072 -1.8072 -1.4569 -1.4569 -1.2216 -1.2216 0.1286 0.1286 1.2417 1.2417 1.8609 1.8609 2.1632 2.1632 2.4969 2.4969 2.8884 2.8884 3.1636 3.1636 7.4805 7.4805 7.7332 7.7332 10.2533 10.2533 10.6763 10.6763 k = 0.1477-0.0000 0.2353 ( 3696 PWs) bands (ev): -17.0299 -17.0299 -15.3478 -15.3478 -10.2283 -10.2283 -9.9383 -9.9383 -3.9521 -3.9521 -3.3372 -3.3372 -1.7895 -1.7895 -1.4799 -1.4799 -1.2858 -1.2858 0.1228 0.1228 1.2097 1.2097 1.8069 1.8069 2.1701 2.1701 2.5000 2.5000 2.8917 2.8917 3.1657 3.1657 7.5280 7.5280 7.8145 7.8145 10.3223 10.3223 10.7504 10.7504 k = 0.1591-0.0000 0.2353 ( 3704 PWs) bands (ev): -17.0140 -17.0140 -15.3620 -15.3620 -10.2195 -10.2195 -9.9338 -9.9338 -3.9319 -3.9319 -3.3490 -3.3490 -1.7713 -1.7713 -1.5047 -1.5047 -1.3511 -1.3511 0.1112 0.1112 1.1796 1.1796 1.7517 1.7517 2.1778 2.1778 2.5026 2.5026 2.8953 2.8953 3.1679 3.1679 7.5767 7.5767 7.8992 7.8992 10.3936 10.3936 10.8223 10.8223 k = 0.1705-0.0000 0.2353 ( 3704 PWs) bands (ev): -16.9969 -16.9969 -15.3772 -15.3772 -10.2103 -10.2103 -9.9291 -9.9291 -3.9102 -3.9102 -3.3605 -3.3605 -1.7527 -1.7527 -1.5311 -1.5311 -1.4171 -1.4171 0.0934 0.0934 1.1522 1.1522 1.6960 1.6960 2.1861 2.1861 2.5050 2.5050 2.8992 2.8992 3.1702 3.1702 7.6260 7.6260 7.9869 7.9869 10.4664 10.4664 10.8901 10.8901 k = 0.1818-0.0000 0.2353 ( 3700 PWs) bands (ev): -16.9789 -16.9789 -15.3934 -15.3934 -10.2006 -10.2006 -9.9242 -9.9242 -3.8872 -3.8872 -3.3715 -3.3715 -1.7339 -1.7339 -1.5592 -1.5592 -1.4836 -1.4836 0.0694 0.0694 1.1279 1.1279 1.6401 1.6401 2.1949 2.1949 2.5071 2.5071 2.9036 2.9036 3.1724 3.1724 7.6757 7.6757 8.0766 8.0766 10.5401 10.5401 10.9519 10.9519 k = 0.1932-0.0000 0.2353 ( 3704 PWs) bands (ev): -16.9598 -16.9598 -15.4106 -15.4106 -10.1904 -10.1904 -9.9193 -9.9193 -3.8628 -3.8628 -3.3817 -3.3817 -1.7151 -1.7151 -1.5892 -1.5892 -1.5502 -1.5502 0.0392 0.0392 1.1069 1.1069 1.5844 1.5844 2.2040 2.2040 2.5088 2.5088 2.9082 2.9082 3.1746 3.1746 7.7253 7.7253 8.1679 8.1679 10.6136 10.6136 11.0068 11.0068 k = 0.2045-0.0000 0.2353 ( 3684 PWs) bands (ev): -16.9397 -16.9397 -15.4287 -15.4287 -10.1798 -10.1798 -9.9144 -9.9144 -3.8369 -3.8369 -3.3912 -3.3912 -1.6966 -1.6966 -1.6239 -1.6239 -1.6134 -1.6134 0.0032 0.0032 1.0891 1.0891 1.5294 1.5294 2.2135 2.2135 2.5103 2.5103 2.9133 2.9133 3.1767 3.1767 7.7746 7.7746 8.2600 8.2600 10.6863 10.6863 11.0547 11.0547 k = 0.2159-0.0000 0.2353 ( 3682 PWs) bands (ev): -16.9185 -16.9185 -15.4479 -15.4479 -10.1688 -10.1688 -9.9094 -9.9094 -3.8098 -3.8098 -3.3996 -3.3996 -1.6900 -1.6900 -1.6741 -1.6741 -1.6508 -1.6508 -0.0381 -0.0381 1.0745 1.0745 1.4755 1.4755 2.2231 2.2231 2.5115 2.5115 2.9188 2.9188 3.1788 3.1788 7.8231 7.8231 8.3519 8.3519 10.7572 10.7572 11.0963 11.0963 k = 0.2273-0.0000 0.2353 ( 3686 PWs) bands (ev): -16.8965 -16.8965 -15.4680 -15.4680 -10.1575 -10.1575 -9.9044 -9.9044 -3.7813 -3.7813 -3.4070 -3.4070 -1.7534 -1.7534 -1.6874 -1.6874 -1.6567 -1.6567 -0.0840 -0.0840 1.0626 1.0626 1.4229 1.4229 2.2329 2.2329 2.5124 2.5124 2.9246 2.9246 3.1807 3.1807 7.8707 7.8707 8.4429 8.4429 10.8254 10.8254 11.1330 11.1330 k = 0.2386-0.0000 0.2353 ( 3686 PWs) bands (ev): -16.8735 -16.8735 -15.4890 -15.4890 -10.1459 -10.1459 -9.8996 -9.8996 -3.7516 -3.7516 -3.4131 -3.4131 -1.8197 -1.8197 -1.7226 -1.7226 -1.6391 -1.6391 -0.1339 -0.1339 1.0532 1.0532 1.3720 1.3720 2.2428 2.2428 2.5129 2.5129 2.9308 2.9308 3.1824 3.1824 7.9170 7.9170 8.5319 8.5319 10.8901 10.8901 11.1664 11.1664 k = 0.2500-0.0000 0.2353 ( 3674 PWs) bands (ev): -16.8495 -16.8495 -15.5110 -15.5110 -10.1340 -10.1340 -9.8948 -9.8948 -3.7205 -3.7205 -3.4179 -3.4179 -1.8858 -1.8858 -1.7596 -1.7596 -1.6213 -1.6213 -0.1869 -0.1869 1.0457 1.0457 1.3230 1.3230 2.2527 2.2527 2.5132 2.5132 2.9374 2.9374 3.1840 3.1840 7.9621 7.9621 8.6179 8.6179 10.9508 10.9508 11.1982 11.1982 k = 0.2614-0.0000 0.2353 ( 3672 PWs) bands (ev): -16.8247 -16.8247 -15.5339 -15.5339 -10.1219 -10.1219 -9.8902 -9.8902 -3.6882 -3.6882 -3.4212 -3.4212 -1.9514 -1.9514 -1.7979 -1.7979 -1.6038 -1.6038 -0.2424 -0.2424 1.0398 1.0398 1.2763 1.2763 2.2626 2.2626 2.5132 2.5132 2.9444 2.9444 3.1854 3.1854 8.0057 8.0057 8.6997 8.6997 11.0070 11.0070 11.2297 11.2297 k = 0.2727-0.0000 0.2353 ( 3668 PWs) bands (ev): -16.7991 -16.7991 -15.5576 -15.5576 -10.1096 -10.1096 -9.8857 -9.8857 -3.6547 -3.6547 -3.4230 -3.4230 -2.0164 -2.0164 -1.8375 -1.8375 -1.5867 -1.5867 -0.2998 -0.2998 1.0350 1.0350 1.2320 1.2320 2.2724 2.2724 2.5128 2.5128 2.9517 2.9517 3.1865 3.1865 8.0478 8.0478 8.7762 8.7762 11.0590 11.0590 11.2620 11.2620 k = 0.2841-0.0000 0.2353 ( 3658 PWs) bands (ev): -16.7726 -16.7726 -15.5822 -15.5822 -10.0971 -10.0971 -9.8816 -9.8816 -3.6200 -3.6200 -3.4231 -3.4231 -2.0806 -2.0806 -1.8783 -1.8783 -1.5701 -1.5701 -0.3583 -0.3583 1.0311 1.0311 1.1903 1.1903 2.2821 2.2821 2.5121 2.5121 2.9593 2.9593 3.1874 3.1874 8.0884 8.0884 8.8463 8.8463 11.1073 11.1073 11.2959 11.2959 k = 0.2955-0.0000 0.2353 ( 3666 PWs) bands (ev): -16.7454 -16.7454 -15.6076 -15.6076 -10.0846 -10.0846 -9.8777 -9.8777 -3.5842 -3.5842 -3.4216 -3.4216 -2.1440 -2.1440 -1.9202 -1.9202 -1.5540 -1.5540 -0.4175 -0.4175 1.0276 1.0276 1.1515 1.1515 2.2916 2.2916 2.5110 2.5110 2.9672 2.9672 3.1879 3.1879 8.1275 8.1275 8.9087 8.9087 11.1530 11.1530 11.3317 11.3317 k = 0.3068-0.0000 0.2353 ( 3666 PWs) bands (ev): -16.7174 -16.7174 -15.6338 -15.6338 -10.0720 -10.0720 -9.8741 -9.8741 -3.5472 -3.5472 -3.4183 -3.4183 -2.2064 -2.2064 -1.9632 -1.9632 -1.5383 -1.5383 -0.4768 -0.4768 1.0244 1.0244 1.1156 1.1156 2.3011 2.3011 2.5096 2.5096 2.9754 2.9754 3.1881 3.1881 8.1652 8.1652 8.9626 8.9626 11.1976 11.1976 11.3698 11.3698 k = 0.3182-0.0000 0.2353 ( 3670 PWs) bands (ev): -16.6887 -16.6887 -15.6608 -15.6608 -10.0594 -10.0594 -9.8709 -9.8709 -3.5091 -3.5091 -3.4131 -3.4131 -2.2678 -2.2678 -2.0071 -2.0071 -1.5232 -1.5232 -0.5358 -0.5358 1.0212 1.0212 1.0827 1.0827 2.3104 2.3104 2.5079 2.5079 2.9839 2.9839 3.1879 3.1879 8.2018 8.2018 9.0072 9.0072 11.2424 11.2424 11.4101 11.4101 k = 0.3295-0.0000 0.2353 ( 3670 PWs) bands (ev): -16.6593 -16.6593 -15.6886 -15.6886 -10.0469 -10.0469 -9.8680 -9.8680 -3.4701 -3.4701 -3.4061 -3.4061 -2.3281 -2.3281 -2.0520 -2.0520 -1.5084 -1.5084 -0.5942 -0.5942 1.0178 1.0178 1.0529 1.0529 2.3195 2.3195 2.5058 2.5058 2.9926 2.9926 3.1874 3.1874 8.2373 8.2373 9.0420 9.0420 11.2888 11.2888 11.4525 11.4525 k = 0.3409-0.0000 0.2353 ( 3670 PWs) bands (ev): -16.6293 -16.6293 -15.7170 -15.7170 -10.0344 -10.0344 -9.8657 -9.8657 -3.4301 -3.4301 -3.3970 -3.3970 -2.3873 -2.3873 -2.0978 -2.0978 -1.4940 -1.4940 -0.6515 -0.6515 1.0141 1.0141 1.0263 1.0263 2.3284 2.3284 2.5034 2.5034 3.0014 3.0014 3.1865 3.1865 8.2719 8.2719 9.0668 9.0668 11.3377 11.3377 11.4967 11.4967 k = 0.3523-0.0000 0.2353 ( 3664 PWs) bands (ev): -16.5988 -16.5988 -15.7461 -15.7461 -10.0221 -10.0221 -9.8638 -9.8638 -3.3914 -3.3914 -3.3837 -3.3837 -2.4452 -2.4452 -2.1443 -2.1443 -1.4798 -1.4798 -0.7075 -0.7075 1.0026 1.0026 1.0103 1.0103 2.3372 2.3372 2.5006 2.5006 3.0105 3.0105 3.1851 3.1851 8.3059 8.3059 9.0820 9.0820 11.3893 11.3893 11.5423 11.5423 k = 0.3636-0.0000 0.2353 ( 3664 PWs) bands (ev): -16.5676 -16.5676 -15.7759 -15.7759 -10.0099 -10.0099 -9.8624 -9.8624 -3.3743 -3.3743 -3.3459 -3.3459 -2.5019 -2.5019 -2.1915 -2.1915 -1.4657 -1.4657 -0.7620 -0.7620 0.9822 0.9822 1.0057 1.0057 2.3458 2.3458 2.4975 2.4975 3.0197 3.0197 3.1833 3.1833 8.3394 8.3394 9.0880 9.0880 11.4435 11.4435 11.5887 11.5887 k = 0.3750-0.0000 0.2353 ( 3656 PWs) bands (ev): -16.5360 -16.5360 -15.8063 -15.8063 -9.9980 -9.9980 -9.8615 -9.8615 -3.3592 -3.3592 -3.3031 -3.3031 -2.5572 -2.5572 -2.2393 -2.2393 -1.4517 -1.4517 -0.8146 -0.8146 0.9648 0.9648 1.0008 1.0008 2.3543 2.3543 2.4941 2.4941 3.0289 3.0289 3.1810 3.1810 8.3727 8.3727 9.0856 9.0856 11.4998 11.4998 11.6353 11.6353 k = 0.3864-0.0000 0.2353 ( 3660 PWs) bands (ev): -16.5039 -16.5039 -15.8372 -15.8372 -9.9863 -9.9863 -9.8613 -9.8613 -3.3424 -3.3424 -3.2594 -3.2594 -2.6111 -2.6111 -2.2877 -2.2877 -1.4374 -1.4374 -0.8653 -0.8653 0.9503 0.9503 0.9953 0.9953 2.3626 2.3626 2.4903 2.4903 3.0382 3.0382 3.1783 3.1783 8.4060 8.4060 9.0757 9.0757 11.5571 11.5571 11.6815 11.6815 k = 0.3977-0.0000 0.2353 ( 3668 PWs) bands (ev): -16.4714 -16.4714 -15.8686 -15.8686 -9.9750 -9.9750 -9.8616 -9.8616 -3.3235 -3.3235 -3.2148 -3.2148 -2.6637 -2.6637 -2.3365 -2.3365 -1.4229 -1.4229 -0.9139 -0.9139 0.9386 0.9386 0.9894 0.9894 2.3707 2.3707 2.4862 2.4862 3.0476 3.0476 3.1751 3.1751 8.4394 8.4394 9.0593 9.0593 11.6143 11.6143 11.7265 11.7265 k = 0.4091-0.0000 0.2353 ( 3668 PWs) bands (ev): -16.4385 -16.4385 -15.9005 -15.9005 -9.9640 -9.9640 -9.8625 -9.8625 -3.3027 -3.3027 -3.1694 -3.1694 -2.7148 -2.7148 -2.3857 -2.3857 -1.4078 -1.4078 -0.9603 -0.9603 0.9295 0.9295 0.9830 0.9830 2.3786 2.3786 2.4818 2.4818 3.0569 3.0569 3.1714 3.1714 8.4732 8.4732 9.0374 9.0374 11.6702 11.6702 11.7694 11.7694 k = 0.4205-0.0000 0.2353 ( 3662 PWs) bands (ev): -16.4053 -16.4053 -15.9329 -15.9329 -9.9534 -9.9534 -9.8641 -9.8641 -3.2799 -3.2799 -3.1232 -3.1232 -2.7643 -2.7643 -2.4353 -2.4353 -1.3921 -1.3921 -1.0044 -1.0044 0.9229 0.9229 0.9763 0.9763 2.3865 2.3865 2.4771 2.4771 3.0661 3.0661 3.1672 3.1672 8.5074 8.5074 9.0111 9.0111 11.7236 11.7236 11.8095 11.8095 k = 0.4318-0.0000 0.2353 ( 3662 PWs) bands (ev): -16.3718 -16.3718 -15.9656 -15.9656 -9.9433 -9.9433 -9.8663 -9.8663 -3.2551 -3.2551 -3.0765 -3.0765 -2.8124 -2.8124 -2.4851 -2.4851 -1.3755 -1.3755 -1.0462 -1.0462 0.9186 0.9186 0.9694 0.9694 2.3941 2.3941 2.4721 2.4721 3.0752 3.0752 3.1625 3.1625 8.5422 8.5422 8.9811 8.9811 11.7732 11.7732 11.8459 11.8459 k = 0.4432-0.0000 0.2353 ( 3660 PWs) bands (ev): -16.3381 -16.3381 -15.9987 -15.9987 -9.9336 -9.9336 -9.8692 -9.8692 -3.2284 -3.2284 -3.0291 -3.0291 -2.8588 -2.8588 -2.5351 -2.5351 -1.3578 -1.3578 -1.0855 -1.0855 0.9163 0.9163 0.9622 0.9622 2.4016 2.4016 2.4668 2.4668 3.0841 3.0841 3.1574 3.1574 8.5776 8.5776 8.9483 8.9483 11.8180 11.8180 11.8776 11.8776 k = 0.4545-0.0000 0.2353 ( 3658 PWs) bands (ev): -16.3042 -16.3042 -16.0321 -16.0321 -9.9245 -9.9245 -9.8727 -9.8727 -3.1997 -3.1997 -2.9812 -2.9812 -2.9037 -2.9037 -2.5852 -2.5852 -1.3389 -1.3389 -1.1224 -1.1224 0.9159 0.9159 0.9550 0.9550 2.4090 2.4090 2.4613 2.4613 3.0929 3.0929 3.1518 3.1518 8.6137 8.6137 8.9134 8.9134 11.8569 11.8569 11.9040 11.9040 k = 0.4659-0.0000 0.2353 ( 3658 PWs) bands (ev): -16.2701 -16.2701 -16.0657 -16.0657 -9.9159 -9.9159 -9.8769 -9.8769 -3.1691 -3.1691 -2.9469 -2.9469 -2.9327 -2.9327 -2.6353 -2.6353 -1.3185 -1.3185 -1.1570 -1.1570 0.9172 0.9172 0.9479 0.9479 2.4162 2.4162 2.4555 2.4555 3.1014 3.1014 3.1458 3.1458 8.6504 8.6504 8.8770 8.8770 11.8893 11.8893 11.9242 11.9242 k = 0.4773-0.0000 0.2353 ( 3642 PWs) bands (ev): -16.2360 -16.2360 -16.0996 -16.0996 -9.9078 -9.9078 -9.8818 -9.8818 -3.1366 -3.1366 -2.9883 -2.9883 -2.8839 -2.8839 -2.6853 -2.6853 -1.2965 -1.2965 -1.1892 -1.1892 0.9200 0.9200 0.9411 0.9411 2.4232 2.4232 2.4494 2.4494 3.1097 3.1097 3.1394 3.1394 8.6877 8.6877 8.8396 8.8396 11.9145 11.9145 11.9375 11.9375 k = 0.4886-0.0000 0.2353 ( 3628 PWs) bands (ev): -16.2018 -16.2018 -16.1336 -16.1336 -9.9004 -9.9004 -9.8874 -9.8874 -3.1023 -3.1023 -3.0281 -3.0281 -2.8346 -2.8346 -2.7353 -2.7353 -1.2727 -1.2727 -1.2191 -1.2191 0.9239 0.9239 0.9347 0.9347 2.4301 2.4301 2.4432 2.4432 3.1176 3.1176 3.1325 3.1325 8.7255 8.7255 8.8017 8.8017 11.9321 11.9321 11.9435 11.9435 k = 0.5000-0.0000 0.2353 ( 3624 PWs) bands (ev): -16.1677 -16.1677 -16.1677 -16.1677 -9.8935 -9.8935 -9.8935 -9.8935 -3.0661 -3.0661 -3.0661 -3.0661 -2.7851 -2.7851 -2.7851 -2.7851 -1.2469 -1.2469 -1.2469 -1.2469 0.9289 0.9289 0.9289 0.9289 2.4367 2.4367 2.4367 2.4367 3.1252 3.1252 3.1252 3.1252 8.7636 8.7636 8.7636 8.7636 11.9417 11.9417 11.9417 11.9417 k = 0.5000-0.0000 0.2353 ( 3624 PWs) bands (ev): -16.1677 -16.1677 -16.1677 -16.1677 -9.8935 -9.8935 -9.8935 -9.8935 -3.0661 -3.0661 -3.0661 -3.0661 -2.7851 -2.7851 -2.7851 -2.7851 -1.2469 -1.2469 -1.2469 -1.2469 0.9289 0.9289 0.9289 0.9289 2.4367 2.4367 2.4367 2.4367 3.1252 3.1252 3.1252 3.1252 8.7636 8.7636 8.7636 8.7636 11.9417 11.9417 11.9417 11.9417 k = 0.5000 0.0113 0.2353 ( 3632 PWs) bands (ev): -16.1674 -16.1674 -16.1674 -16.1674 -9.8933 -9.8933 -9.8933 -9.8933 -3.0809 -3.0809 -3.0806 -3.0806 -2.7734 -2.7734 -2.7724 -2.7724 -1.2444 -1.2444 -1.2437 -1.2437 0.9277 0.9277 0.9284 0.9284 2.4362 2.4362 2.4369 2.4369 3.1235 3.1235 3.1236 3.1236 8.7644 8.7644 8.7646 8.7646 11.9392 11.9392 11.9403 11.9403 k = 0.5000 0.0227 0.2353 ( 3648 PWs) bands (ev): -16.1666 -16.1666 -16.1665 -16.1665 -9.8926 -9.8926 -9.8926 -9.8926 -3.1192 -3.1192 -3.1188 -3.1188 -2.7430 -2.7430 -2.7412 -2.7412 -1.2363 -1.2363 -1.2349 -1.2349 0.9249 0.9249 0.9261 0.9261 2.4353 2.4353 2.4369 2.4369 3.1183 3.1183 3.1185 3.1185 8.7671 8.7671 8.7674 8.7674 11.9328 11.9328 11.9348 11.9348 k = 0.5000 0.0340 0.2353 ( 3640 PWs) bands (ev): -16.1652 -16.1652 -16.1651 -16.1651 -9.8914 -9.8914 -9.8914 -9.8914 -3.1716 -3.1716 -3.1713 -3.1713 -2.7031 -2.7031 -2.7007 -2.7007 -1.2226 -1.2226 -1.2205 -1.2205 0.9203 0.9203 0.9222 0.9222 2.4342 2.4342 2.4365 2.4365 3.1098 3.1098 3.1102 3.1102 8.7717 8.7717 8.7721 8.7721 11.9222 11.9222 11.9251 11.9251 k = 0.5000 0.0453 0.2353 ( 3640 PWs) bands (ev): -16.1632 -16.1632 -16.1631 -16.1631 -9.8897 -9.8897 -9.8897 -9.8897 -3.2321 -3.2321 -3.2319 -3.2319 -2.6596 -2.6596 -2.6567 -2.6567 -1.2036 -1.2036 -1.2009 -1.2009 0.9141 0.9141 0.9165 0.9165 2.4327 2.4327 2.4358 2.4358 3.0980 3.0980 3.0985 3.0985 8.7781 8.7781 8.7787 8.7787 11.9074 11.9074 11.9112 11.9112 k = 0.5000 0.0567 0.2353 ( 3648 PWs) bands (ev): -16.1607 -16.1607 -16.1606 -16.1606 -9.8876 -9.8876 -9.8876 -9.8876 -3.2977 -3.2977 -3.2977 -3.2977 -2.6153 -2.6153 -2.6120 -2.6120 -1.1796 -1.1796 -1.1763 -1.1763 0.9062 0.9062 0.9092 0.9092 2.4310 2.4310 2.4348 2.4348 3.0830 3.0830 3.0837 3.0837 8.7863 8.7863 8.7871 8.7871 11.8885 11.8885 11.8929 11.8929 k = 0.5000 0.0680 0.2353 ( 3656 PWs) bands (ev): -16.1577 -16.1577 -16.1576 -16.1576 -9.8850 -9.8850 -9.8850 -9.8850 -3.3668 -3.3668 -3.3666 -3.3666 -2.5716 -2.5716 -2.5679 -2.5679 -1.1510 -1.1510 -1.1470 -1.1470 0.8966 0.8966 0.9002 0.9002 2.4290 2.4290 2.4336 2.4336 3.0650 3.0650 3.0658 3.0658 8.7964 8.7964 8.7973 8.7973 11.8654 11.8654 11.8703 11.8703 k = 0.5000 0.0793 0.2353 ( 3660 PWs) bands (ev): -16.1542 -16.1542 -16.1541 -16.1541 -9.8820 -9.8820 -9.8819 -9.8819 -3.4383 -3.4383 -3.4380 -3.4380 -2.5289 -2.5289 -2.5248 -2.5248 -1.1182 -1.1182 -1.1137 -1.1137 0.8854 0.8854 0.8895 0.8895 2.4267 2.4267 2.4321 2.4321 3.0442 3.0442 3.0451 3.0451 8.8083 8.8083 8.8094 8.8094 11.8384 11.8384 11.8436 11.8436 k = 0.5000 0.0907 0.2353 ( 3660 PWs) bands (ev): -16.1501 -16.1501 -16.1500 -16.1500 -9.8785 -9.8785 -9.8784 -9.8784 -3.5116 -3.5116 -3.5111 -3.5111 -2.4876 -2.4876 -2.4831 -2.4831 -1.0817 -1.0817 -1.0766 -1.0766 0.8726 0.8726 0.8772 0.8772 2.4242 2.4242 2.4303 2.4303 3.0206 3.0206 3.0218 3.0218 8.8220 8.8220 8.8232 8.8232 11.8080 11.8080 11.8134 11.8134 k = 0.5000 0.1020 0.2353 ( 3664 PWs) bands (ev): -16.1456 -16.1456 -16.1455 -16.1455 -9.8746 -9.8746 -9.8746 -9.8746 -3.5861 -3.5861 -3.5854 -3.5854 -2.4476 -2.4476 -2.4428 -2.4428 -1.0420 -1.0420 -1.0364 -1.0364 0.8582 0.8582 0.8633 0.8633 2.4214 2.4214 2.4283 2.4283 2.9946 2.9946 2.9959 2.9959 8.8375 8.8375 8.8389 8.8389 11.7747 11.7747 11.7802 11.7802 k = 0.5000 0.1133 0.2353 ( 3664 PWs) bands (ev): -16.1406 -16.1406 -16.1405 -16.1405 -9.8703 -9.8703 -9.8703 -9.8703 -3.6614 -3.6614 -3.6606 -3.6606 -2.4088 -2.4088 -2.4037 -2.4037 -0.9997 -0.9997 -0.9935 -0.9935 0.8423 0.8423 0.8479 0.8479 2.4185 2.4185 2.4260 2.4260 2.9662 2.9662 2.9678 2.9678 8.8547 8.8547 8.8563 8.8563 11.7391 11.7391 11.7445 11.7445 k = 0.5000 0.1247 0.2353 ( 3660 PWs) bands (ev): -16.1352 -16.1352 -16.1350 -16.1350 -9.8657 -9.8657 -9.8656 -9.8656 -3.7372 -3.7372 -3.7363 -3.7363 -2.3711 -2.3711 -2.3657 -2.3657 -0.9552 -0.9552 -0.9486 -0.9486 0.8250 0.8250 0.8310 0.8310 2.4153 2.4153 2.4236 2.4236 2.9359 2.9359 2.9377 2.9377 8.8738 8.8738 8.8755 8.8755 11.7020 11.7020 11.7073 11.7073 k = 0.5000 0.1360 0.2353 ( 3660 PWs) bands (ev): -16.1293 -16.1293 -16.1292 -16.1292 -9.8606 -9.8606 -9.8606 -9.8606 -3.8132 -3.8132 -3.8123 -3.8123 -2.3343 -2.3343 -2.3286 -2.3286 -0.9092 -0.9092 -0.9021 -0.9021 0.8064 0.8064 0.8127 0.8127 2.4119 2.4119 2.4209 2.4209 2.9036 2.9036 2.9058 2.9058 8.8945 8.8945 8.8965 8.8965 11.6639 11.6639 11.6690 11.6690 k = 0.5000 0.1473 0.2353 ( 3664 PWs) bands (ev): -16.1231 -16.1231 -16.1229 -16.1229 -9.8553 -9.8553 -9.8552 -9.8552 -3.8892 -3.8892 -3.8881 -3.8881 -2.2982 -2.2982 -2.2922 -2.2922 -0.8622 -0.8622 -0.8546 -0.8546 0.7867 0.7867 0.7932 0.7932 2.4083 2.4083 2.4181 2.4181 2.8698 2.8698 2.8723 2.8723 8.9170 8.9170 8.9191 8.9191 11.6254 11.6254 11.6302 11.6302 k = 0.5000 0.1587 0.2353 ( 3664 PWs) bands (ev): -16.1165 -16.1165 -16.1163 -16.1163 -9.8496 -9.8496 -9.8495 -9.8495 -3.9649 -3.9649 -3.9637 -3.9637 -2.2625 -2.2625 -2.2563 -2.2563 -0.8147 -0.8147 -0.8067 -0.8067 0.7659 0.7659 0.7727 0.7727 2.4045 2.4045 2.4150 2.4150 2.8347 2.8347 2.8374 2.8374 8.9411 8.9411 8.9433 8.9433 11.5870 11.5870 11.5916 11.5916 k = 0.5000 0.1700 0.2353 ( 3676 PWs) bands (ev): -16.1096 -16.1096 -16.1094 -16.1094 -9.8437 -9.8437 -9.8436 -9.8436 -4.0400 -4.0400 -4.0388 -4.0388 -2.2272 -2.2272 -2.2207 -2.2207 -0.7673 -0.7673 -0.7588 -0.7588 0.7443 0.7443 0.7512 0.7512 2.4005 2.4005 2.4118 2.4118 2.7983 2.7983 2.8015 2.8015 8.9668 8.9668 8.9692 8.9692 11.5492 11.5492 11.5535 11.5535 k = 0.5000 0.1813 0.2353 ( 3692 PWs) bands (ev): -16.1024 -16.1024 -16.1021 -16.1021 -9.8374 -9.8374 -9.8374 -9.8374 -4.1144 -4.1144 -4.1132 -4.1132 -2.1920 -2.1920 -2.1853 -2.1853 -0.7206 -0.7206 -0.7116 -0.7116 0.7221 0.7221 0.7291 0.7291 2.3963 2.3963 2.4083 2.4083 2.7611 2.7611 2.7648 2.7648 8.9940 8.9940 8.9967 8.9967 11.5122 11.5122 11.5162 11.5162 k = 0.5000 0.1926 0.2353 ( 3692 PWs) bands (ev): -16.0949 -16.0949 -16.0946 -16.0946 -9.8310 -9.8310 -9.8309 -9.8309 -4.1879 -4.1879 -4.1867 -4.1867 -2.1568 -2.1568 -2.1498 -2.1498 -0.6751 -0.6751 -0.6655 -0.6655 0.6996 0.6996 0.7067 0.7067 2.3918 2.3918 2.4046 2.4046 2.7233 2.7233 2.7274 2.7274 9.0228 9.0228 9.0256 9.0256 11.4764 11.4764 11.4801 11.4801 k = 0.5000 0.2040 0.2353 ( 3692 PWs) bands (ev): -16.0871 -16.0871 -16.0869 -16.0869 -9.8244 -9.8244 -9.8243 -9.8243 -4.2603 -4.2603 -4.2590 -4.2590 -2.1214 -2.1214 -2.1143 -2.1143 -0.6313 -0.6313 -0.6212 -0.6212 0.6773 0.6773 0.6842 0.6842 2.3871 2.3871 2.4007 2.4007 2.6849 2.6849 2.6897 2.6897 9.0530 9.0530 9.0560 9.0560 11.4420 11.4420 11.4453 11.4453 k = 0.5000 0.2153 0.2353 ( 3692 PWs) bands (ev): -16.0792 -16.0792 -16.0790 -16.0790 -9.8176 -9.8176 -9.8175 -9.8175 -4.3315 -4.3315 -4.3301 -4.3301 -2.0858 -2.0858 -2.0784 -2.0784 -0.5898 -0.5898 -0.5793 -0.5793 0.6554 0.6554 0.6621 0.6621 2.3820 2.3820 2.3965 2.3965 2.6464 2.6464 2.6519 2.6519 9.0846 9.0846 9.0877 9.0877 11.4091 11.4091 11.4121 11.4121 k = 0.5000 0.2266 0.2353 ( 3700 PWs) bands (ev): -16.0712 -16.0712 -16.0709 -16.0709 -9.8106 -9.8106 -9.8105 -9.8105 -4.4011 -4.4011 -4.3998 -4.3998 -2.0498 -2.0498 -2.0422 -2.0422 -0.5514 -0.5514 -0.5402 -0.5402 0.6344 0.6344 0.6409 0.6409 2.3765 2.3765 2.3920 2.3920 2.6079 2.6079 2.6143 2.6143 9.1174 9.1174 9.1207 9.1207 11.3778 11.3778 11.3806 11.3806 k = 0.5000 0.2380 0.2353 ( 3696 PWs) bands (ev): -16.0630 -16.0630 -16.0627 -16.0627 -9.8036 -9.8036 -9.8035 -9.8035 -4.4692 -4.4692 -4.4679 -4.4679 -2.0134 -2.0134 -2.0055 -2.0055 -0.5166 -0.5166 -0.5048 -0.5048 0.6149 0.6149 0.6211 0.6211 2.3705 2.3705 2.3871 2.3871 2.5696 2.5696 2.5770 2.5770 9.1515 9.1515 9.1549 9.1549 11.3484 11.3484 11.3508 11.3508 k = 0.5000 0.2493 0.2353 ( 3696 PWs) bands (ev): -16.0548 -16.0548 -16.0545 -16.0545 -9.7965 -9.7965 -9.7964 -9.7964 -4.5355 -4.5355 -4.5342 -4.5342 -1.9765 -1.9765 -1.9684 -1.9684 -0.4860 -0.4860 -0.4736 -0.4736 0.5975 0.5975 0.6032 0.6032 2.3639 2.3639 2.3818 2.3818 2.5318 2.5318 2.5406 2.5406 9.1866 9.1866 9.1902 9.1902 11.3206 11.3206 11.3228 11.3228 k = 0.5000 0.2606 0.2353 ( 3696 PWs) bands (ev): -16.0465 -16.0465 -16.0462 -16.0462 -9.7894 -9.7894 -9.7893 -9.7893 -4.5999 -4.5999 -4.5986 -4.5986 -1.9390 -1.9390 -1.9307 -1.9307 -0.4604 -0.4604 -0.4473 -0.4473 0.5826 0.5826 0.5878 0.5878 2.3564 2.3564 2.3759 2.3759 2.4949 2.4949 2.5053 2.5053 9.2227 9.2227 9.2264 9.2264 11.2947 11.2947 11.2965 11.2965 k = 0.5000 0.2720 0.2353 ( 3700 PWs) bands (ev): -16.0382 -16.0382 -16.0380 -16.0380 -9.7822 -9.7822 -9.7821 -9.7821 -4.6623 -4.6623 -4.6610 -4.6610 -1.9009 -1.9009 -1.8923 -1.8923 -0.4404 -0.4404 -0.4266 -0.4266 0.5709 0.5709 0.5755 0.5755 2.3476 2.3476 2.3690 2.3690 2.4593 2.4593 2.4717 2.4717 9.2596 9.2596 9.2634 9.2634 11.2704 11.2704 11.2720 11.2720 k = 0.5000 0.2833 0.2353 ( 3688 PWs) bands (ev): -16.0300 -16.0300 -16.0298 -16.0298 -9.7752 -9.7752 -9.7751 -9.7751 -4.7225 -4.7225 -4.7212 -4.7212 -1.8622 -1.8622 -1.8534 -1.8534 -0.4264 -0.4264 -0.4119 -0.4119 0.5627 0.5627 0.5667 0.5667 2.3367 2.3367 2.3603 2.3603 2.4261 2.4261 2.4408 2.4408 9.2972 9.2972 9.3012 9.3012 11.2479 11.2479 11.2493 11.2493 k = 0.5000 0.2946 0.2353 ( 3688 PWs) bands (ev): -16.0219 -16.0219 -16.0217 -16.0217 -9.7682 -9.7682 -9.7681 -9.7681 -4.7804 -4.7804 -4.7792 -4.7792 -1.8228 -1.8228 -1.8138 -1.8138 -0.4188 -0.4188 -0.4037 -0.4037 0.5585 0.5585 0.5619 0.5619 2.3229 2.3229 2.3475 2.3475 2.3977 2.3977 2.4136 2.4136 9.3354 9.3354 9.3395 9.3395 11.2270 11.2270 11.2281 11.2281 k = 0.5000 0.3060 0.2353 ( 3692 PWs) bands (ev): -16.0140 -16.0140 -16.0137 -16.0137 -9.7613 -9.7613 -9.7612 -9.7612 -4.8359 -4.8359 -4.8347 -4.8347 -1.7827 -1.7827 -1.7735 -1.7735 -0.4177 -0.4177 -0.4021 -0.4021 0.5583 0.5583 0.5611 0.5611 2.3052 2.3052 2.3275 2.3275 2.3773 2.3773 2.3912 2.3912 9.3739 9.3739 9.3781 9.3781 11.2077 11.2077 11.2086 11.2086 k = 0.5000 0.3173 0.2353 ( 3680 PWs) bands (ev): -16.0062 -16.0062 -16.0059 -16.0059 -9.7546 -9.7546 -9.7545 -9.7545 -4.8889 -4.8889 -4.8877 -4.8877 -1.7420 -1.7420 -1.7325 -1.7325 -0.4231 -0.4231 -0.4071 -0.4070 0.5620 0.5620 0.5643 0.5643 2.2835 2.2835 2.3011 2.3011 2.3644 2.3644 2.3738 2.3738 9.4127 9.4127 9.4169 9.4169 11.1898 11.1898 11.1904 11.1904 k = 0.5000 0.3286 0.2353 ( 3680 PWs) bands (ev): -15.9986 -15.9986 -15.9984 -15.9984 -9.7480 -9.7480 -9.7479 -9.7479 -4.9392 -4.9392 -4.9381 -4.9381 -1.7006 -1.7006 -1.6909 -1.6909 -0.4347 -0.4347 -0.4183 -0.4183 0.5694 0.5694 0.5712 0.5712 2.2592 2.2592 2.2723 2.2723 2.3550 2.3550 2.3603 2.3603 9.4514 9.4514 9.4557 9.4557 11.1732 11.1732 11.1736 11.1736 k = 0.5000 0.3400 0.2353 ( 3676 PWs) bands (ev): -15.9913 -15.9913 -15.9911 -15.9911 -9.7417 -9.7417 -9.7416 -9.7416 -4.9868 -4.9868 -4.9857 -4.9857 -1.6586 -1.6586 -1.6485 -1.6485 -0.4521 -0.4521 -0.4354 -0.4354 0.5799 0.5799 0.5813 0.5813 2.2337 2.2337 2.2435 2.2435 2.3470 2.3470 2.3493 2.3493 9.4899 9.4899 9.4942 9.4942 11.1578 11.1578 11.1580 11.1580 k = 0.5000 0.3513 0.2353 ( 3672 PWs) bands (ev): -15.9843 -15.9843 -15.9841 -15.9841 -9.7357 -9.7357 -9.7356 -9.7356 -5.0315 -5.0315 -5.0305 -5.0305 -1.6159 -1.6159 -1.6056 -1.6056 -0.4746 -0.4746 -0.4578 -0.4578 0.5929 0.5929 0.5941 0.5941 2.2082 2.2082 2.2156 2.2156 2.3396 2.3396 2.3399 2.3399 9.5280 9.5280 9.5323 9.5323 11.1434 11.1434 11.1434 11.1434 k = 0.5000 0.3626 0.2353 ( 3668 PWs) bands (ev): -15.9777 -15.9777 -15.9775 -15.9775 -9.7299 -9.7299 -9.7298 -9.7298 -5.0733 -5.0733 -5.0724 -5.0724 -1.5726 -1.5726 -1.5620 -1.5620 -0.5017 -0.5017 -0.4849 -0.4849 0.6078 0.6078 0.6087 0.6087 2.1834 2.1834 2.1890 2.1890 2.3315 2.3315 2.3326 2.3326 9.5654 9.5654 9.5696 9.5696 11.1297 11.1297 11.1299 11.1299 k = 0.5000 0.3740 0.2353 ( 3676 PWs) bands (ev): -15.9714 -15.9714 -15.9712 -15.9712 -9.7245 -9.7245 -9.7244 -9.7244 -5.1121 -5.1121 -5.1113 -5.1113 -1.5287 -1.5287 -1.5179 -1.5179 -0.5327 -0.5327 -0.5159 -0.5159 0.6240 0.6240 0.6247 0.6247 2.1597 2.1597 2.1639 2.1639 2.3239 2.3239 2.3258 2.3258 9.6017 9.6017 9.6059 9.6059 11.1168 11.1168 11.1171 11.1171 k = 0.5000 0.3853 0.2353 ( 3668 PWs) bands (ev): -15.9656 -15.9656 -15.9654 -15.9654 -9.7194 -9.7194 -9.7194 -9.7194 -5.1478 -5.1478 -5.1470 -5.1470 -1.4843 -1.4843 -1.4732 -1.4732 -0.5670 -0.5670 -0.5503 -0.5503 0.6408 0.6408 0.6414 0.6414 2.1374 2.1374 2.1407 2.1407 2.3168 2.3168 2.3192 2.3192 9.6368 9.6368 9.6408 9.6408 11.1045 11.1045 11.1050 11.1050 k = 0.5000 0.3966 0.2353 ( 3660 PWs) bands (ev): -15.9602 -15.9602 -15.9600 -15.9600 -9.7147 -9.7147 -9.7147 -9.7147 -5.1803 -5.1803 -5.1796 -5.1796 -1.4393 -1.4393 -1.4279 -1.4279 -0.6041 -0.6041 -0.5876 -0.5876 0.6577 0.6577 0.6581 0.6581 2.1169 2.1169 2.1194 2.1194 2.3102 2.3102 2.3129 2.3129 9.6703 9.6703 9.6741 9.6741 11.0929 11.0929 11.0934 11.0934 k = 0.5000 0.4080 0.2353 ( 3660 PWs) bands (ev): -15.9553 -15.9553 -15.9551 -15.9551 -9.7105 -9.7105 -9.7104 -9.7104 -5.2096 -5.2096 -5.2089 -5.2089 -1.3940 -1.3940 -1.3823 -1.3823 -0.6434 -0.6434 -0.6271 -0.6271 0.6741 0.6741 0.6744 0.6744 2.0982 2.0982 2.1000 2.1000 2.3041 2.3041 2.3069 2.3069 9.7017 9.7017 9.7053 9.7053 11.0817 11.0817 11.0824 11.0824 k = 0.5000 0.4193 0.2353 ( 3660 PWs) bands (ev): -15.9508 -15.9508 -15.9507 -15.9507 -9.7067 -9.7067 -9.7066 -9.7066 -5.2355 -5.2355 -5.2350 -5.2350 -1.3482 -1.3482 -1.3363 -1.3363 -0.6846 -0.6846 -0.6685 -0.6685 0.6896 0.6896 0.6898 0.6898 2.0814 2.0814 2.0828 2.0828 2.2986 2.2986 2.3013 2.3013 9.7308 9.7308 9.7342 9.7342 11.0711 11.0711 11.0719 11.0719 k = 0.5000 0.4306 0.2353 ( 3664 PWs) bands (ev): -15.9470 -15.9470 -15.9469 -15.9469 -9.7033 -9.7033 -9.7033 -9.7033 -5.2581 -5.2581 -5.2577 -5.2577 -1.3023 -1.3023 -1.2901 -1.2901 -0.7271 -0.7271 -0.7114 -0.7114 0.7037 0.7037 0.7039 0.7039 2.0667 2.0667 2.0677 2.0677 2.2937 2.2937 2.2962 2.2962 9.7572 9.7572 9.7602 9.7602 11.0612 11.0612 11.0620 11.0620 k = 0.5000 0.4420 0.2353 ( 3672 PWs) bands (ev): -15.9436 -15.9436 -15.9436 -15.9436 -9.7004 -9.7004 -9.7004 -9.7004 -5.2774 -5.2774 -5.2770 -5.2770 -1.2562 -1.2562 -1.2438 -1.2438 -0.7706 -0.7706 -0.7553 -0.7553 0.7163 0.7163 0.7164 0.7164 2.0542 2.0542 2.0549 2.0549 2.2894 2.2894 2.2917 2.2917 9.7804 9.7804 9.7831 9.7831 11.0522 11.0522 11.0529 11.0529 k = 0.5000 0.4533 0.2353 ( 3688 PWs) bands (ev): -15.9409 -15.9409 -15.9408 -15.9408 -9.6980 -9.6980 -9.6980 -9.6980 -5.2931 -5.2931 -5.2928 -5.2928 -1.2103 -1.2103 -1.1978 -1.1978 -0.8146 -0.8146 -0.7997 -0.7997 0.7269 0.7269 0.7270 0.7270 2.0438 2.0438 2.0443 2.0443 2.2859 2.2859 2.2878 2.2878 9.8002 9.8002 9.8023 9.8023 11.0442 11.0442 11.0449 11.0449 k = 0.5000 0.4646 0.2353 ( 3692 PWs) bands (ev): -15.9388 -15.9388 -15.9387 -15.9387 -9.6962 -9.6962 -9.6962 -9.6962 -5.3054 -5.3054 -5.3052 -5.3052 -1.1650 -1.1650 -1.1526 -1.1526 -0.8583 -0.8583 -0.8441 -0.8441 0.7354 0.7354 0.7354 0.7354 2.0357 2.0357 2.0360 2.0360 2.2831 2.2831 2.2846 2.2846 9.8160 9.8160 9.8177 9.8177 11.0377 11.0377 11.0382 11.0382 k = 0.5000 0.4760 0.2353 ( 3692 PWs) bands (ev): -15.9372 -15.9372 -15.9372 -15.9372 -9.6948 -9.6948 -9.6948 -9.6948 -5.3142 -5.3142 -5.3140 -5.3140 -1.1214 -1.1214 -1.1097 -1.1097 -0.9001 -0.9001 -0.8872 -0.8872 0.7415 0.7415 0.7416 0.7416 2.0299 2.0299 2.0301 2.0301 2.2812 2.2812 2.2822 2.2822 9.8277 9.8277 9.8288 9.8288 11.0328 11.0328 11.0332 11.0332 k = 0.5000 0.4873 0.2353 ( 3688 PWs) bands (ev): -15.9363 -15.9363 -15.9362 -15.9362 -9.6940 -9.6940 -9.6940 -9.6940 -5.3195 -5.3195 -5.3194 -5.3194 -1.0828 -1.0828 -1.0738 -1.0738 -0.9352 -0.9352 -0.9257 -0.9257 0.7453 0.7453 0.7453 0.7453 2.0264 2.0264 2.0265 2.0265 2.2802 2.2802 2.2807 2.2807 9.8349 9.8349 9.8355 9.8355 11.0298 11.0298 11.0300 11.0300 k = 0.5000 0.4986 0.2353 ( 3688 PWs) bands (ev): -15.9359 -15.9359 -15.9359 -15.9359 -9.6938 -9.6938 -9.6938 -9.6938 -5.3212 -5.3212 -5.3212 -5.3212 -1.0608 -1.0608 -1.0608 -1.0608 -0.9478 -0.9478 -0.9478 -0.9478 0.7466 0.7466 0.7466 0.7466 2.0253 2.0253 2.0253 2.0253 2.2800 2.2800 2.2800 2.2800 9.8375 9.8375 9.8375 9.8375 11.0288 11.0288 11.0288 11.0288 k = 0.5000 0.4986 0.2353 ( 3688 PWs) bands (ev): -15.9359 -15.9359 -15.9359 -15.9359 -9.6938 -9.6938 -9.6938 -9.6938 -5.3212 -5.3212 -5.3212 -5.3212 -1.0608 -1.0608 -1.0608 -1.0608 -0.9478 -0.9478 -0.9478 -0.9478 0.7466 0.7466 0.7466 0.7466 2.0253 2.0253 2.0253 2.0253 2.2800 2.2800 2.2800 2.2800 9.8375 9.8375 9.8375 9.8375 11.0288 11.0288 11.0288 11.0288 k = 0.4886 0.4986 0.2353 ( 3688 PWs) bands (ev): -15.9362 -15.9362 -15.9361 -15.9361 -9.6942 -9.6942 -9.6942 -9.6942 -5.3197 -5.3197 -5.3197 -5.3197 -1.0740 -1.0740 -1.0658 -1.0658 -0.9429 -0.9429 -0.9342 -0.9342 0.7475 0.7475 0.7478 0.7478 2.0218 2.0218 2.0231 2.0231 2.2815 2.2815 2.2830 2.2830 9.8372 9.8372 9.8382 9.8382 11.0219 11.0219 11.0243 11.0243 k = 0.4773 0.4986 0.2353 ( 3684 PWs) bands (ev): -15.9368 -15.9368 -15.9367 -15.9367 -9.6955 -9.6955 -9.6955 -9.6955 -5.3153 -5.3153 -5.3151 -5.3151 -1.0979 -1.0979 -1.0859 -1.0859 -0.9228 -0.9228 -0.9097 -0.9097 0.7506 0.7506 0.7512 0.7512 2.0128 2.0128 2.0153 2.0153 2.2873 2.2873 2.2902 2.2902 9.8372 9.8372 9.8392 9.8392 11.0042 11.0043 11.0088 11.0088 k = 0.4659 0.4986 0.2353 ( 3684 PWs) bands (ev): -15.9379 -15.9379 -15.9378 -15.9378 -9.6976 -9.6976 -9.6976 -9.6976 -5.3078 -5.3078 -5.3076 -5.3076 -1.1263 -1.1263 -1.1127 -1.1127 -0.8957 -0.8957 -0.8806 -0.8806 0.7558 0.7558 0.7567 0.7567 1.9994 1.9994 2.0028 2.0028 2.2967 2.2967 2.3008 2.3008 9.8375 9.8375 9.8405 9.8405 10.9775 10.9775 10.9838 10.9838 k = 0.4545 0.4986 0.2353 ( 3680 PWs) bands (ev): -15.9393 -15.9393 -15.9392 -15.9392 -9.7006 -9.7006 -9.7006 -9.7006 -5.2974 -5.2974 -5.2972 -5.2972 -1.1564 -1.1564 -1.1423 -1.1423 -0.8656 -0.8656 -0.8496 -0.8496 0.7631 0.7631 0.7643 0.7643 1.9824 1.9824 1.9866 1.9866 2.3087 2.3087 2.3138 2.3138 9.8378 9.8378 9.8418 9.8418 10.9435 10.9435 10.9509 10.9509 k = 0.4432 0.4986 0.2353 ( 3676 PWs) bands (ev): -15.9412 -15.9412 -15.9410 -15.9410 -9.7044 -9.7044 -9.7044 -9.7044 -5.2841 -5.2841 -5.2838 -5.2838 -1.1872 -1.1872 -1.1730 -1.1730 -0.8344 -0.8344 -0.8177 -0.8177 0.7726 0.7726 0.7740 0.7740 1.9627 1.9627 1.9676 1.9676 2.3224 2.3224 2.3283 2.3283 9.8381 9.8381 9.8431 9.8431 10.9039 10.9039 10.9121 10.9121 k = 0.4318 0.4986 0.2353 ( 3668 PWs) bands (ev): -15.9434 -15.9434 -15.9433 -15.9433 -9.7090 -9.7090 -9.7090 -9.7090 -5.2679 -5.2679 -5.2676 -5.2676 -1.2183 -1.2183 -1.2042 -1.2042 -0.8027 -0.8027 -0.7856 -0.7856 0.7842 0.7842 0.7858 0.7858 1.9410 1.9410 1.9465 1.9465 2.3371 2.3371 2.3438 2.3438 9.8380 9.8380 9.8440 9.8440 10.8602 10.8602 10.8690 10.8690 k = 0.4205 0.4986 0.2353 ( 3664 PWs) bands (ev): -15.9460 -15.9460 -15.9459 -15.9459 -9.7143 -9.7143 -9.7143 -9.7143 -5.2489 -5.2489 -5.2485 -5.2485 -1.2494 -1.2494 -1.2354 -1.2354 -0.7710 -0.7710 -0.7535 -0.7535 0.7979 0.7979 0.7996 0.7996 1.9180 1.9180 1.9241 1.9241 2.3522 2.3522 2.3597 2.3597 9.8373 9.8373 9.8442 9.8442 10.8136 10.8136 10.8227 10.8227 k = 0.4091 0.4986 0.2353 ( 3652 PWs) bands (ev): -15.9490 -15.9490 -15.9488 -15.9488 -9.7204 -9.7204 -9.7204 -9.7204 -5.2272 -5.2272 -5.2267 -5.2267 -1.2803 -1.2803 -1.2665 -1.2665 -0.7395 -0.7395 -0.7219 -0.7219 0.8137 0.8137 0.8156 0.8156 1.8941 1.8941 1.9007 1.9007 2.3675 2.3675 2.3756 2.3756 9.8354 9.8354 9.8432 9.8432 10.7653 10.7653 10.7748 10.7748 k = 0.3977 0.4986 0.2353 ( 3656 PWs) bands (ev): -15.9523 -15.9523 -15.9521 -15.9521 -9.7271 -9.7271 -9.7271 -9.7271 -5.2028 -5.2028 -5.2023 -5.2023 -1.3110 -1.3110 -1.2974 -1.2974 -0.7086 -0.7086 -0.6908 -0.6908 0.8316 0.8316 0.8336 0.8336 1.8696 1.8696 1.8768 1.8768 2.3826 2.3826 2.3913 2.3913 9.8318 9.8318 9.8405 9.8405 10.7165 10.7165 10.7262 10.7262 k = 0.3864 0.4986 0.2353 ( 3668 PWs) bands (ev): -15.9560 -15.9560 -15.9558 -15.9558 -9.7345 -9.7345 -9.7345 -9.7345 -5.1758 -5.1758 -5.1752 -5.1752 -1.3413 -1.3413 -1.3279 -1.3279 -0.6786 -0.6786 -0.6606 -0.6606 0.8517 0.8517 0.8536 0.8536 1.8448 1.8448 1.8526 1.8526 2.3972 2.3972 2.4066 2.4066 9.8258 9.8258 9.8353 9.8353 10.6682 10.6682 10.6782 10.6782 k = 0.3750 0.4986 0.2353 ( 3664 PWs) bands (ev): -15.9599 -15.9599 -15.9597 -15.9597 -9.7425 -9.7425 -9.7425 -9.7425 -5.1462 -5.1462 -5.1456 -5.1456 -1.3712 -1.3712 -1.3580 -1.3580 -0.6496 -0.6496 -0.6315 -0.6315 0.8739 0.8739 0.8757 0.8757 1.8200 1.8200 1.8286 1.8286 2.4114 2.4114 2.4214 2.4214 9.8167 9.8167 9.8268 9.8268 10.6216 10.6216 10.6319 10.6319 k = 0.3636 0.4986 0.2353 ( 3668 PWs) bands (ev): -15.9642 -15.9642 -15.9639 -15.9639 -9.7511 -9.7511 -9.7510 -9.7510 -5.1143 -5.1143 -5.1136 -5.1136 -1.4005 -1.4005 -1.3875 -1.3875 -0.6219 -0.6219 -0.6038 -0.6038 0.8983 0.8983 0.8998 0.8998 1.7954 1.7954 1.8048 1.8048 2.4249 2.4249 2.4356 2.4356 9.8036 9.8036 9.8143 9.8143 10.5778 10.5778 10.5886 10.5886 k = 0.3523 0.4986 0.2353 ( 3672 PWs) bands (ev): -15.9687 -15.9687 -15.9684 -15.9684 -9.7601 -9.7601 -9.7600 -9.7600 -5.0801 -5.0801 -5.0794 -5.0794 -1.4293 -1.4293 -1.4166 -1.4166 -0.5959 -0.5959 -0.5777 -0.5777 0.9248 0.9248 0.9260 0.9260 1.7712 1.7712 1.7815 1.7815 2.4378 2.4378 2.4491 2.4491 9.7856 9.7856 9.7968 9.7968 10.5378 10.5378 10.5492 10.5492 k = 0.3409 0.4986 0.2353 ( 3672 PWs) bands (ev): -15.9734 -15.9734 -15.9731 -15.9731 -9.7695 -9.7695 -9.7695 -9.7695 -5.0437 -5.0437 -5.0429 -5.0429 -1.4574 -1.4574 -1.4449 -1.4449 -0.5718 -0.5718 -0.5535 -0.5535 0.9535 0.9535 0.9542 0.9542 1.7476 1.7476 1.7590 1.7590 2.4499 2.4499 2.4619 2.4619 9.7622 9.7622 9.7736 9.7736 10.5025 10.5025 10.5147 10.5147 k = 0.3295 0.4986 0.2353 ( 3680 PWs) bands (ev): -15.9784 -15.9784 -15.9781 -15.9781 -9.7794 -9.7794 -9.7793 -9.7793 -5.0053 -5.0053 -5.0045 -5.0045 -1.4849 -1.4849 -1.4726 -1.4726 -0.5498 -0.5498 -0.5316 -0.5316 0.9844 0.9844 0.9845 0.9845 1.7249 1.7249 1.7375 1.7375 2.4613 2.4613 2.4740 2.4740 9.7329 9.7329 9.7443 9.7443 10.4723 10.4723 10.4854 10.4854 k = 0.3182 0.4986 0.2353 ( 3680 PWs) bands (ev): -15.9835 -15.9835 -15.9832 -15.9832 -9.7895 -9.7895 -9.7894 -9.7894 -4.9650 -4.9650 -4.9641 -4.9641 -1.5116 -1.5116 -1.4994 -1.4994 -0.5302 -0.5302 -0.5121 -0.5121 1.0167 1.0167 1.0174 1.0174 1.7031 1.7031 1.7172 1.7172 2.4718 2.4718 2.4853 2.4853 9.6975 9.6975 9.7089 9.7089 10.4472 10.4472 10.4615 10.4615 k = 0.3068 0.4986 0.2353 ( 3688 PWs) bands (ev): -15.9888 -15.9888 -15.9885 -15.9885 -9.7999 -9.7999 -9.7999 -9.7999 -4.9229 -4.9229 -4.9220 -4.9220 -1.5374 -1.5374 -1.5255 -1.5255 -0.5134 -0.5134 -0.4954 -0.4954 1.0507 1.0507 1.0526 1.0526 1.6825 1.6825 1.6983 1.6983 2.4817 2.4817 2.4959 2.4959 9.6565 9.6565 9.6677 9.6677 10.4269 10.4269 10.4424 10.4424 k = 0.2955 0.4986 0.2353 ( 3688 PWs) bands (ev): -15.9942 -15.9942 -15.9939 -15.9939 -9.8105 -9.8105 -9.8105 -9.8105 -4.8793 -4.8793 -4.8783 -4.8783 -1.5623 -1.5623 -1.5506 -1.5506 -0.4995 -0.4995 -0.4816 -0.4816 1.0864 1.0864 1.0897 1.0897 1.6633 1.6633 1.6811 1.6811 2.4907 2.4907 2.5058 2.5058 9.6105 9.6105 9.6214 9.6214 10.4104 10.4104 10.4272 10.4272 k = 0.2841 0.4986 0.2353 ( 3692 PWs) bands (ev): -15.9998 -15.9998 -15.9994 -15.9994 -9.8213 -9.8213 -9.8213 -9.8213 -4.8342 -4.8342 -4.8332 -4.8332 -1.5863 -1.5863 -1.5747 -1.5747 -0.4887 -0.4887 -0.4711 -0.4711 1.1236 1.1236 1.1286 1.1286 1.6457 1.6457 1.6659 1.6659 2.4990 2.4990 2.5149 2.5149 9.5604 9.5604 9.5709 9.5709 10.3967 10.3967 10.4148 10.4148 k = 0.2727 0.4986 0.2353 ( 3692 PWs) bands (ev): -16.0053 -16.0053 -16.0050 -16.0050 -9.8322 -9.8322 -9.8321 -9.8321 -4.7879 -4.7879 -4.7868 -4.7868 -1.6092 -1.6092 -1.5978 -1.5978 -0.4812 -0.4812 -0.4638 -0.4638 1.1618 1.1618 1.1691 1.1691 1.6300 1.6300 1.6531 1.6531 2.5065 2.5065 2.5233 2.5233 9.5070 9.5070 9.5171 9.5171 10.3844 10.3844 10.4038 10.4038 k = 0.2614 0.4986 0.2353 ( 3692 PWs) bands (ev): -16.0110 -16.0110 -16.0106 -16.0106 -9.8431 -9.8431 -9.8430 -9.8430 -4.7405 -4.7405 -4.7394 -4.7394 -1.6311 -1.6311 -1.6198 -1.6198 -0.4771 -0.4771 -0.4599 -0.4599 1.2005 1.2005 1.2106 1.2106 1.6168 1.6168 1.6433 1.6433 2.5133 2.5133 2.5310 2.5310 9.4512 9.4512 9.4610 9.4610 10.3721 10.3721 10.3929 10.3929 k = 0.2500 0.4986 0.2353 ( 3700 PWs) bands (ev): -16.0166 -16.0166 -16.0163 -16.0163 -9.8539 -9.8539 -9.8539 -9.8539 -4.6922 -4.6922 -4.6911 -4.6911 -1.6517 -1.6517 -1.6406 -1.6406 -0.4765 -0.4765 -0.4595 -0.4595 1.2388 1.2388 1.2524 1.2524 1.6065 1.6065 1.6372 1.6372 2.5194 2.5194 2.5380 2.5380 9.3939 9.3939 9.4033 9.4033 10.3586 10.3586 10.3805 10.3805 k = 0.2386 0.4986 0.2353 ( 3692 PWs) bands (ev): -16.0223 -16.0223 -16.0219 -16.0219 -9.8647 -9.8647 -9.8647 -9.8647 -4.6434 -4.6434 -4.6422 -4.6422 -1.6711 -1.6711 -1.6602 -1.6602 -0.4793 -0.4793 -0.4626 -0.4626 1.2757 1.2757 1.2933 1.2933 1.6002 1.6002 1.6357 1.6357 2.5248 2.5248 2.5443 2.5443 9.3359 9.3359 9.3449 9.3449 10.3425 10.3425 10.3655 10.3655 k = 0.2273 0.4986 0.2353 ( 3688 PWs) bands (ev): -16.0278 -16.0278 -16.0275 -16.0275 -9.8754 -9.8754 -9.8753 -9.8753 -4.5941 -4.5941 -4.5929 -4.5929 -1.6892 -1.6892 -1.6784 -1.6784 -0.4855 -0.4855 -0.4691 -0.4691 1.3096 1.3096 1.3318 1.3318 1.5994 1.5994 1.6401 1.6401 2.5295 2.5295 2.5500 2.5500 9.2778 9.2778 9.2864 9.2864 10.3227 10.3227 10.3465 10.3465 k = 0.2159 0.4986 0.2353 ( 3692 PWs) bands (ev): -16.0334 -16.0334 -16.0330 -16.0330 -9.8859 -9.8859 -9.8858 -9.8858 -4.5446 -4.5446 -4.5434 -4.5434 -1.7060 -1.7060 -1.6953 -1.6953 -0.4949 -0.4949 -0.4789 -0.4789 1.3390 1.3390 1.3652 1.3652 1.6062 1.6062 1.6518 1.6518 2.5335 2.5335 2.5550 2.5550 9.2201 9.2201 9.2283 9.2283 10.2982 10.2982 10.3225 10.3225 k = 0.2045 0.4986 0.2353 ( 3692 PWs) bands (ev): -16.0388 -16.0388 -16.0385 -16.0385 -9.8961 -9.8961 -9.8961 -9.8961 -4.4951 -4.4951 -4.4939 -4.4939 -1.7213 -1.7213 -1.7108 -1.7108 -0.5074 -0.5074 -0.4918 -0.4918 1.3625 1.3625 1.3912 1.3912 1.6229 1.6229 1.6717 1.6717 2.5369 2.5369 2.5593 2.5593 9.1634 9.1634 9.1712 9.1712 10.2682 10.2682 10.2929 10.2929 k = 0.1932 0.4986 0.2353 ( 3696 PWs) bands (ev): -16.0441 -16.0441 -16.0438 -16.0438 -9.9061 -9.9061 -9.9060 -9.9060 -4.4460 -4.4460 -4.4448 -4.4448 -1.7352 -1.7352 -1.7248 -1.7248 -0.5228 -0.5228 -0.5077 -0.5077 1.3797 1.3797 1.4084 1.4084 1.6503 1.6503 1.7000 1.7000 2.5396 2.5396 2.5630 2.5630 9.1080 9.1080 9.1154 9.1154 10.2325 10.2325 10.2572 10.2572 k = 0.1818 0.4986 0.2353 ( 3680 PWs) bands (ev): -16.0492 -16.0492 -16.0489 -16.0489 -9.9157 -9.9157 -9.9157 -9.9157 -4.3975 -4.3975 -4.3962 -4.3962 -1.7475 -1.7475 -1.7373 -1.7373 -0.5408 -0.5408 -0.5261 -0.5261 1.3912 1.3912 1.4180 1.4180 1.6870 1.6870 1.7356 1.7356 2.5416 2.5416 2.5661 2.5661 9.0543 9.0543 9.0614 9.0614 10.1911 10.1911 10.2154 10.2154 k = 0.1705 0.4986 0.2353 ( 3668 PWs) bands (ev): -16.0542 -16.0542 -16.0539 -16.0539 -9.9250 -9.9250 -9.9250 -9.9250 -4.3498 -4.3498 -4.3486 -4.3486 -1.7583 -1.7583 -1.7483 -1.7483 -0.5611 -0.5611 -0.5469 -0.5469 1.3983 1.3983 1.4221 1.4221 1.7304 1.7304 1.7770 1.7770 2.5430 2.5430 2.5684 2.5684 9.0027 9.0027 9.0094 9.0094 10.1442 10.1442 10.1679 10.1679 k = 0.1591 0.4986 0.2353 ( 3668 PWs) bands (ev): -16.0589 -16.0589 -16.0586 -16.0586 -9.9339 -9.9339 -9.9339 -9.9339 -4.3033 -4.3033 -4.3020 -4.3020 -1.7676 -1.7676 -1.7578 -1.7578 -0.5834 -0.5834 -0.5696 -0.5696 1.4021 1.4021 1.4228 1.4228 1.7780 1.7780 1.8224 1.8224 2.5436 2.5436 2.5701 2.5701 8.9534 8.9534 8.9597 8.9597 10.0928 10.0928 10.1156 10.1156 k = 0.1477 0.4986 0.2353 ( 3664 PWs) bands (ev): -16.0635 -16.0635 -16.0632 -16.0632 -9.9423 -9.9423 -9.9423 -9.9423 -4.2582 -4.2582 -4.2570 -4.2570 -1.7752 -1.7752 -1.7657 -1.7657 -0.6072 -0.6072 -0.5940 -0.5940 1.4038 1.4038 1.4216 1.4216 1.8278 1.8278 1.8702 1.8702 2.5435 2.5435 2.5710 2.5710 8.9066 8.9066 8.9125 8.9125 10.0378 10.0378 10.0595 10.0595 k = 0.1364 0.4986 0.2353 ( 3664 PWs) bands (ev): -16.0678 -16.0678 -16.0675 -16.0675 -9.9503 -9.9503 -9.9502 -9.9502 -4.2148 -4.2148 -4.2136 -4.2136 -1.7814 -1.7814 -1.7722 -1.7722 -0.6322 -0.6322 -0.6196 -0.6196 1.4042 1.4042 1.4194 1.4194 1.8785 1.8785 1.9193 1.9193 2.5427 2.5427 2.5711 2.5711 8.8626 8.8626 8.8680 8.8680 9.9804 9.9804 10.0008 10.0008 k = 0.1250 0.4986 0.2353 ( 3664 PWs) bands (ev): -16.0718 -16.0718 -16.0715 -16.0715 -9.9577 -9.9577 -9.9577 -9.9577 -4.1735 -4.1735 -4.1723 -4.1723 -1.7860 -1.7860 -1.7771 -1.7771 -0.6580 -0.6580 -0.6460 -0.6460 1.4037 1.4037 1.4167 1.4167 1.9291 1.9291 1.9686 1.9686 2.5411 2.5411 2.5703 2.5703 8.8215 8.8215 8.8265 8.8265 9.9219 9.9219 9.9408 9.9408 k = 0.1136 0.4986 0.2353 ( 3664 PWs) bands (ev): -16.0755 -16.0755 -16.0753 -16.0753 -9.9646 -9.9646 -9.9646 -9.9646 -4.1345 -4.1345 -4.1334 -4.1334 -1.7892 -1.7892 -1.7807 -1.7807 -0.6839 -0.6839 -0.6726 -0.6726 1.4027 1.4027 1.4138 1.4138 1.9789 1.9789 2.0173 2.0173 2.5387 2.5387 2.5687 2.5687 8.7835 8.7835 8.7881 8.7881 9.8636 9.8636 9.8810 9.8810 k = 0.1023 0.4986 0.2353 ( 3660 PWs) bands (ev): -16.0790 -16.0790 -16.0788 -16.0788 -9.9709 -9.9709 -9.9709 -9.9709 -4.0982 -4.0982 -4.0971 -4.0971 -1.7911 -1.7911 -1.7831 -1.7831 -0.7097 -0.7097 -0.6991 -0.6991 1.4015 1.4015 1.4110 1.4110 2.0272 2.0272 2.0647 2.0647 2.5354 2.5354 2.5660 2.5660 8.7488 8.7488 8.7530 8.7530 9.8068 9.8068 9.8226 9.8226 k = 0.0909 0.4986 0.2353 ( 3660 PWs) bands (ev): -16.0821 -16.0821 -16.0819 -16.0819 -9.9767 -9.9767 -9.9766 -9.9766 -4.0647 -4.0647 -4.0637 -4.0637 -1.7918 -1.7918 -1.7844 -1.7844 -0.7346 -0.7346 -0.7249 -0.7249 1.4002 1.4002 1.4082 1.4082 2.0735 2.0735 2.1100 2.1100 2.5314 2.5314 2.5624 2.5624 8.7175 8.7175 8.7212 8.7212 9.7527 9.7527 9.7668 9.7668 k = 0.0795 0.4986 0.2353 ( 3664 PWs) bands (ev): -16.0849 -16.0849 -16.0847 -16.0847 -9.9818 -9.9818 -9.9818 -9.9818 -4.0345 -4.0345 -4.0336 -4.0336 -1.7916 -1.7916 -1.7847 -1.7847 -0.7583 -0.7583 -0.7496 -0.7496 1.3990 1.3990 1.4057 1.4057 2.1173 2.1173 2.1528 2.1528 2.5266 2.5266 2.5576 2.5576 8.6896 8.6896 8.6929 8.6929 9.7024 9.7024 9.7148 9.7148 k = 0.0682 0.4986 0.2353 ( 3656 PWs) bands (ev): -16.0873 -16.0873 -16.0872 -16.0872 -9.9862 -9.9862 -9.9862 -9.9862 -4.0077 -4.0077 -4.0069 -4.0069 -1.7905 -1.7905 -1.7844 -1.7844 -0.7802 -0.7802 -0.7724 -0.7724 1.3978 1.3978 1.4034 1.4034 2.1581 2.1581 2.1922 2.1922 2.5211 2.5211 2.5517 2.5517 8.6653 8.6653 8.6681 8.6681 9.6569 9.6569 9.6676 9.6676 k = 0.0568 0.4986 0.2353 ( 3652 PWs) bands (ev): -16.0894 -16.0894 -16.0893 -16.0893 -9.9901 -9.9901 -9.9900 -9.9900 -3.9846 -3.9846 -3.9839 -3.9839 -1.7888 -1.7888 -1.7835 -1.7835 -0.7997 -0.7997 -0.7931 -0.7931 1.3969 1.3969 1.4013 1.4013 2.1955 2.1955 2.2276 2.2276 2.5153 2.5153 2.5447 2.5447 8.6446 8.6446 8.6470 8.6470 9.6171 9.6171 9.6260 9.6260 k = 0.0455 0.4986 0.2353 ( 3652 PWs) bands (ev): -16.0911 -16.0911 -16.0910 -16.0910 -9.9932 -9.9932 -9.9932 -9.9932 -3.9654 -3.9654 -3.9648 -3.9648 -1.7869 -1.7869 -1.7825 -1.7825 -0.8164 -0.8164 -0.8109 -0.8109 1.3961 1.3961 1.3996 1.3996 2.2289 2.2289 2.2581 2.2581 2.5095 2.5095 2.5367 2.5367 8.6277 8.6277 8.6296 8.6296 9.5836 9.5836 9.5908 9.5908 k = 0.0341 0.4986 0.2353 ( 3648 PWs) bands (ev): -16.0924 -16.0924 -16.0924 -16.0924 -9.9956 -9.9956 -9.9956 -9.9956 -3.9502 -3.9502 -3.9498 -3.9498 -1.7849 -1.7849 -1.7815 -1.7815 -0.8297 -0.8297 -0.8255 -0.8255 1.3956 1.3956 1.3981 1.3981 2.2578 2.2578 2.2826 2.2826 2.5046 2.5046 2.5280 2.5280 8.6145 8.6145 8.6160 8.6160 9.5572 9.5572 9.5625 9.5625 k = 0.0227 0.4986 0.2353 ( 3640 PWs) bands (ev): -16.0934 -16.0934 -16.0933 -16.0933 -9.9974 -9.9974 -9.9974 -9.9974 -3.9393 -3.9393 -3.9390 -3.9390 -1.7831 -1.7831 -1.7808 -1.7808 -0.8393 -0.8393 -0.8365 -0.8365 1.3953 1.3953 1.3970 1.3970 2.2813 2.2813 2.2999 2.2999 2.5015 2.5015 2.5191 2.5191 8.6052 8.6052 8.6061 8.6061 9.5382 9.5382 9.5418 9.5418 k = 0.0114 0.4986 0.2353 ( 3628 PWs) bands (ev): -16.0940 -16.0940 -16.0939 -16.0939 -9.9984 -9.9984 -9.9984 -9.9984 -3.9326 -3.9326 -3.9325 -3.9325 -1.7817 -1.7817 -1.7806 -1.7806 -0.8449 -0.8449 -0.8435 -0.8435 1.3953 1.3953 1.3961 1.3961 2.2985 2.2985 2.3085 2.3085 2.5014 2.5014 2.5110 2.5110 8.5996 8.5996 8.6001 8.6001 9.5270 9.5270 9.5288 9.5288 k = 0.0000 0.4986 0.2353 ( 3632 PWs) bands (ev): -16.0941 -16.0941 -16.0941 -16.0941 -9.9988 -9.9988 -9.9988 -9.9988 -3.9304 -3.9304 -3.9304 -3.9304 -1.7809 -1.7809 -1.7809 -1.7809 -0.8463 -0.8463 -0.8463 -0.8463 1.3956 1.3956 1.3956 1.3956 2.3079 2.3079 2.3079 2.3079 2.5047 2.5047 2.5047 2.5047 8.5979 8.5979 8.5979 8.5979 9.5239 9.5239 9.5239 9.5239 k = 0.0000 0.4986 0.2353 ( 3632 PWs) bands (ev): -16.0941 -16.0941 -16.0941 -16.0941 -9.9988 -9.9988 -9.9988 -9.9988 -3.9304 -3.9304 -3.9304 -3.9304 -1.7809 -1.7809 -1.7809 -1.7809 -0.8463 -0.8463 -0.8463 -0.8463 1.3956 1.3956 1.3956 1.3956 2.3079 2.3079 2.3079 2.3079 2.5047 2.5047 2.5047 2.5047 8.5979 8.5979 8.5979 8.5979 9.5239 9.5239 9.5239 9.5239 k = 0.0000 0.4873 0.2353 ( 3644 PWs) bands (ev): -16.1292 -16.1292 -16.0593 -16.0593 -10.0059 -10.0059 -9.9920 -9.9920 -3.9696 -3.9696 -3.8890 -3.8890 -1.8385 -1.8385 -1.7227 -1.7227 -0.8739 -0.8739 -0.8188 -0.8188 1.3955 1.3955 1.3970 1.3970 2.2994 2.2994 2.3161 2.3161 2.4906 2.4906 2.5193 2.5193 8.5617 8.5617 8.6333 8.6333 9.5139 9.5139 9.5326 9.5326 k = 0.0000 0.4760 0.2353 ( 3650 PWs) bands (ev): -16.1645 -16.1645 -16.0247 -16.0247 -10.0134 -10.0134 -9.9856 -9.9856 -4.0067 -4.0067 -3.8455 -3.8455 -1.8957 -1.8957 -1.6641 -1.6641 -0.9016 -0.9016 -0.7913 -0.7913 1.3970 1.3970 1.3997 1.3997 2.2906 2.2906 2.3240 2.3240 2.4771 2.4771 2.5343 2.5343 8.5250 8.5250 8.6673 8.6673 9.5028 9.5028 9.5399 9.5399 k = 0.0000 0.4646 0.2353 ( 3638 PWs) bands (ev): -16.1999 -16.1999 -15.9905 -15.9905 -10.0212 -10.0212 -9.9795 -9.9795 -4.0416 -4.0416 -3.8000 -3.8000 -1.9522 -1.9522 -1.6052 -1.6052 -0.9293 -0.9293 -0.7639 -0.7639 1.4001 1.4001 1.4035 1.4035 2.2817 2.2817 2.3315 2.3315 2.4642 2.4642 2.5497 2.5497 8.4880 8.4880 8.6994 8.6994 9.4910 9.4910 9.5458 9.5458 k = 0.0000 0.4533 0.2353 ( 3648 PWs) bands (ev): -16.2354 -16.2354 -15.9567 -15.9567 -10.0292 -10.0292 -9.9738 -9.9738 -4.0743 -4.0743 -3.7525 -3.7525 -2.0080 -2.0080 -1.5460 -1.5460 -0.9572 -0.9572 -0.7366 -0.7366 1.4048 1.4048 1.4085 1.4085 2.2726 2.2726 2.3384 2.3384 2.4523 2.4523 2.5655 2.5655 8.4508 8.4508 8.7290 8.7290 9.4789 9.4789 9.5504 9.5504 k = 0.0000 0.4420 0.2353 ( 3656 PWs) bands (ev): -16.2708 -16.2708 -15.9234 -15.9234 -10.0375 -10.0375 -9.9686 -9.9686 -4.1047 -4.1047 -3.7029 -3.7029 -2.0631 -2.0631 -1.4867 -1.4867 -0.9851 -0.9851 -0.7095 -0.7095 1.4112 1.4112 1.4144 1.4144 2.2634 2.2634 2.3447 2.3447 2.4412 2.4412 2.5815 2.5815 8.4137 8.4137 8.7550 8.7550 9.4672 9.4672 9.5539 9.5539 k = 0.0000 0.4306 0.2353 ( 3660 PWs) bands (ev): -16.3063 -16.3063 -15.8905 -15.8905 -10.0460 -10.0460 -9.9637 -9.9637 -4.1329 -4.1329 -3.6515 -3.6515 -2.1173 -2.1173 -1.4272 -1.4272 -1.0132 -1.0132 -0.6825 -0.6825 1.4194 1.4194 1.4213 1.4213 2.2541 2.2541 2.3502 2.3502 2.4314 2.4314 2.5977 2.5977 8.3766 8.3766 8.7764 8.7764 9.4569 9.4569 9.5564 9.5564 k = 0.0000 0.4193 0.2353 ( 3654 PWs) bands (ev): -16.3416 -16.3416 -15.8582 -15.8582 -10.0547 -10.0547 -9.9593 -9.9593 -4.1588 -4.1588 -3.5982 -3.5982 -2.1707 -2.1707 -1.3678 -1.3678 -1.0414 -1.0414 -0.6559 -0.6559 1.4287 1.4287 1.4298 1.4298 2.2449 2.2449 2.3545 2.3545 2.4231 2.4231 2.6141 2.6141 8.3397 8.3397 8.7919 8.7919 9.4489 9.4489 9.5582 9.5582 k = 0.0000 0.4080 0.2353 ( 3660 PWs) bands (ev): -16.3767 -16.3767 -15.8265 -15.8265 -10.0636 -10.0636 -9.9553 -9.9553 -4.1825 -4.1825 -3.5431 -3.5431 -2.2233 -2.2233 -1.3084 -1.3084 -1.0698 -1.0698 -0.6296 -0.6296 1.4373 1.4373 1.4418 1.4418 2.2356 2.2356 2.3575 2.3575 2.4166 2.4166 2.6307 2.6307 8.3028 8.3028 8.8004 8.8004 9.4445 9.4445 9.5596 9.5596 k = 0.0000 0.3966 0.2353 ( 3660 PWs) bands (ev): -16.4116 -16.4116 -15.7955 -15.7955 -10.0726 -10.0726 -9.9518 -9.9518 -4.2039 -4.2039 -3.4862 -3.4862 -2.2748 -2.2748 -1.2493 -1.2493 -1.0983 -1.0983 -0.6039 -0.6039 1.4463 1.4463 1.4558 1.4558 2.2265 2.2265 2.3586 2.3586 2.4125 2.4125 2.6473 2.6473 8.2660 8.2660 8.8007 8.8007 9.4445 9.4445 9.5607 9.5607 k = 0.0000 0.3853 0.2353 ( 3668 PWs) bands (ev): -16.4463 -16.4463 -15.7651 -15.7651 -10.0817 -10.0817 -9.9487 -9.9487 -4.2230 -4.2230 -3.4277 -3.4277 -2.3254 -2.3254 -1.1907 -1.1907 -1.1268 -1.1268 -0.5787 -0.5787 1.4559 1.4559 1.4719 1.4719 2.2175 2.2175 2.3581 2.3581 2.4107 2.4107 2.6640 2.6640 8.2291 8.2291 8.7920 8.7920 9.4496 9.4496 9.5619 9.5619 k = 0.0000 0.3740 0.2353 ( 3664 PWs) bands (ev): -16.4805 -16.4805 -15.7354 -15.7354 -10.0908 -10.0908 -9.9460 -9.9460 -4.2399 -4.2399 -3.3675 -3.3675 -2.3749 -2.3749 -1.1581 -1.1581 -1.1299 -1.1299 -0.5542 -0.5542 1.4660 1.4660 1.4899 1.4899 2.2086 2.2086 2.3561 2.3561 2.4109 2.4109 2.6808 2.6808 8.1923 8.1923 8.7742 8.7742 9.4600 9.4600 9.5635 9.5635 k = 0.0000 0.3626 0.2353 ( 3662 PWs) bands (ev): -16.5144 -16.5144 -15.7066 -15.7066 -10.1001 -10.1001 -9.9437 -9.9437 -4.2546 -4.2546 -3.3057 -3.3057 -2.4233 -2.4233 -1.1862 -1.1862 -1.0730 -1.0730 -0.5307 -0.5307 1.4765 1.4765 1.5098 1.5098 2.1999 2.1999 2.3536 2.3536 2.4125 2.4125 2.6975 2.6975 8.1552 8.1552 8.7476 8.7476 9.4751 9.4751 9.5659 9.5659 k = 0.0000 0.3513 0.2353 ( 3666 PWs) bands (ev): -16.5479 -16.5479 -15.6785 -15.6785 -10.1093 -10.1093 -9.9418 -9.9418 -4.2671 -4.2671 -3.2425 -3.2425 -2.4705 -2.4705 -1.2156 -1.2156 -1.0156 -1.0156 -0.5081 -0.5081 1.4873 1.4873 1.5316 1.5316 2.1915 2.1915 2.3510 2.3510 2.4149 2.4149 2.7143 2.7143 8.1180 8.1180 8.7130 8.7130 9.4944 9.4944 9.5692 9.5692 k = 0.0000 0.3400 0.2353 ( 3666 PWs) bands (ev): -16.5808 -16.5808 -15.6512 -15.6512 -10.1185 -10.1185 -9.9403 -9.9403 -4.2774 -4.2774 -3.1779 -3.1779 -2.5166 -2.5166 -1.2454 -1.2454 -0.9587 -0.9587 -0.4868 -0.4868 1.4983 1.4983 1.5553 1.5553 2.1834 2.1834 2.3491 2.3491 2.4178 2.4178 2.7310 2.7310 8.0804 8.0804 8.6713 8.6713 9.5167 9.5167 9.5737 9.5737 k = 0.0000 0.3286 0.2353 ( 3670 PWs) bands (ev): -16.6132 -16.6132 -15.6248 -15.6248 -10.1277 -10.1277 -9.9392 -9.9392 -4.2856 -4.2856 -3.1120 -3.1120 -2.5615 -2.5615 -1.2754 -1.2754 -0.9026 -0.9026 -0.4668 -0.4668 1.5093 1.5093 1.5807 1.5807 2.1757 2.1757 2.3482 2.3482 2.4207 2.4207 2.7477 2.7477 8.0425 8.0425 8.6234 8.6234 9.5414 9.5414 9.5798 9.5798 k = 0.0000 0.3173 0.2353 ( 3674 PWs) bands (ev): -16.6450 -16.6450 -15.5992 -15.5992 -10.1368 -10.1368 -9.9385 -9.9385 -4.2917 -4.2917 -3.0448 -3.0448 -2.6052 -2.6052 -1.3056 -1.3056 -0.8474 -0.8474 -0.4483 -0.4483 1.5203 1.5203 1.6077 1.6077 2.1683 2.1683 2.3485 2.3485 2.4237 2.4237 2.7643 2.7643 8.0042 8.0042 8.5704 8.5704 9.5673 9.5673 9.5875 9.5875 k = 0.0000 0.3060 0.2353 ( 3674 PWs) bands (ev): -16.6761 -16.6761 -15.5746 -15.5746 -10.1458 -10.1458 -9.9381 -9.9381 -4.2958 -4.2958 -2.9765 -2.9765 -2.6476 -2.6476 -1.3360 -1.3360 -0.7932 -0.7932 -0.4314 -0.4314 1.5309 1.5309 1.6363 1.6363 2.1613 2.1613 2.3504 2.3504 2.4267 2.4267 2.7809 2.7809 7.9654 7.9654 8.5132 8.5132 9.5936 9.5936 9.5973 9.5973 k = 0.0000 0.2946 0.2353 ( 3674 PWs) bands (ev): -16.7065 -16.7065 -15.5509 -15.5509 -10.1547 -10.1547 -9.9381 -9.9381 -4.2979 -4.2979 -2.9072 -2.9072 -2.6886 -2.6886 -1.3666 -1.3666 -0.7400 -0.7400 -0.4164 -0.4164 1.5412 1.5412 1.6662 1.6662 2.1548 2.1548 2.3541 2.3541 2.4295 2.4295 2.7975 2.7975 7.9262 7.9262 8.4524 8.4524 9.6086 9.6086 9.6204 9.6204 k = 0.0000 0.2833 0.2353 ( 3672 PWs) bands (ev): -16.7362 -16.7362 -15.5281 -15.5281 -10.1635 -10.1635 -9.9383 -9.9383 -4.2981 -4.2981 -2.8369 -2.8369 -2.7284 -2.7284 -1.3972 -1.3972 -0.6881 -0.6881 -0.4034 -0.4034 1.5508 1.5508 1.6973 1.6973 2.1488 2.1488 2.3598 2.3598 2.4322 2.4322 2.8140 2.8140 7.8865 7.8865 8.3888 8.3888 9.6223 9.6223 9.6463 9.6463 k = 0.0000 0.2720 0.2353 ( 3678 PWs) bands (ev): -16.7651 -16.7651 -15.5062 -15.5062 -10.1720 -10.1720 -9.9389 -9.9389 -4.2965 -4.2965 -2.7686 -2.7686 -2.7639 -2.7639 -1.4278 -1.4278 -0.6374 -0.6374 -0.3925 -0.3925 1.5596 1.5596 1.7294 1.7294 2.1433 2.1433 2.3675 2.3675 2.4349 2.4349 2.8306 2.8306 7.8464 7.8464 8.3232 8.3232 9.6380 9.6380 9.6711 9.6711 k = 0.0000 0.2606 0.2353 ( 3666 PWs) bands (ev): -16.7931 -16.7931 -15.4853 -15.4853 -10.1804 -10.1804 -9.9397 -9.9397 -4.2932 -4.2932 -2.8038 -2.8038 -2.6939 -2.6939 -1.4585 -1.4585 -0.5882 -0.5882 -0.3839 -0.3839 1.5674 1.5674 1.7622 1.7622 2.1383 2.1383 2.3773 2.3773 2.4375 2.4375 2.8471 2.8471 7.8059 7.8059 8.2559 8.2559 9.6558 9.6558 9.6946 9.6946 k = 0.0000 0.2493 0.2353 ( 3678 PWs) bands (ev): -16.8202 -16.8202 -15.4653 -15.4653 -10.1886 -10.1886 -9.9407 -9.9407 -4.2883 -4.2883 -2.8394 -2.8394 -2.6215 -2.6215 -1.4891 -1.4891 -0.5404 -0.5404 -0.3775 -0.3775 1.5740 1.5740 1.7957 1.7957 2.1340 2.1340 2.3892 2.3892 2.4405 2.4405 2.8636 2.8636 7.7652 7.7652 8.1877 8.1877 9.6757 9.6757 9.7164 9.7164 k = 0.0000 0.2380 0.2353 ( 3682 PWs) bands (ev): -16.8465 -16.8465 -15.4463 -15.4463 -10.1966 -10.1966 -9.9419 -9.9419 -4.2820 -4.2820 -2.8735 -2.8735 -2.5485 -2.5485 -1.5195 -1.5195 -0.4943 -0.4943 -0.3736 -0.3736 1.5793 1.5793 1.8295 1.8295 2.1303 2.1303 2.4026 2.4026 2.4442 2.4442 2.8802 2.8802 7.7243 7.7243 8.1189 8.1189 9.6974 9.6974 9.7363 9.7363 k = 0.0000 0.2266 0.2353 ( 3686 PWs) bands (ev): -16.8717 -16.8717 -15.4283 -15.4283 -10.2043 -10.2043 -9.9433 -9.9433 -4.2742 -4.2742 -2.9062 -2.9062 -2.4752 -2.4752 -1.5496 -1.5496 -0.4500 -0.4500 -0.3721 -0.3721 1.5831 1.5831 1.8633 1.8633 2.1272 2.1272 2.4160 2.4160 2.4503 2.4503 2.8968 2.8968 7.6834 7.6834 8.0501 8.0501 9.7209 9.7209 9.7541 9.7541 k = 0.0000 0.2153 0.2353 ( 3686 PWs) bands (ev): -16.8960 -16.8960 -15.4112 -15.4112 -10.2117 -10.2117 -9.9449 -9.9449 -4.2652 -4.2652 -2.9374 -2.9374 -2.4017 -2.4017 -1.5794 -1.5794 -0.4077 -0.4077 -0.3729 -0.3729 1.5855 1.5855 1.8969 1.8969 2.1248 2.1248 2.4264 2.4264 2.4617 2.4617 2.9134 2.9134 7.6426 7.6426 7.9817 7.9817 9.7460 9.7460 9.7699 9.7699 k = 0.0000 0.2040 0.2353 ( 3698 PWs) bands (ev): -16.9192 -16.9192 -15.3951 -15.3951 -10.2189 -10.2189 -9.9465 -9.9465 -4.2551 -4.2551 -2.9672 -2.9672 -2.3281 -2.3281 -1.6088 -1.6088 -0.3795 -0.3795 -0.3641 -0.3641 1.5864 1.5864 1.9299 1.9299 2.1231 2.1231 2.4324 2.4324 2.4796 2.4796 2.9301 2.9301 7.6021 7.6021 7.9141 7.9141 9.7723 9.7723 9.7834 9.7834 k = 0.0000 0.1926 0.2353 ( 3696 PWs) bands (ev): -16.9414 -16.9414 -15.3799 -15.3799 -10.2258 -10.2258 -9.9483 -9.9483 -4.2440 -4.2440 -2.9954 -2.9954 -2.2546 -2.2546 -1.6377 -1.6377 -0.3844 -0.3844 -0.3267 -0.3267 1.5859 1.5859 1.9621 1.9621 2.1224 2.1224 2.4356 2.4356 2.5023 2.5023 2.9469 2.9469 7.5621 7.5621 7.8478 7.8478 9.7944 9.7944 9.7999 9.7999 k = 0.0000 0.1813 0.2353 ( 3708 PWs) bands (ev): -16.9625 -16.9625 -15.3657 -15.3657 -10.2323 -10.2323 -9.9501 -9.9501 -4.2321 -4.2321 -3.0221 -3.0221 -2.1813 -2.1813 -1.6660 -1.6660 -0.3933 -0.3933 -0.2899 -0.2899 1.5841 1.5841 1.9928 1.9928 2.1227 2.1227 2.4375 2.4375 2.5279 2.5279 2.9636 2.9636 7.5227 7.5227 7.7831 7.7831 9.8037 9.8037 9.8279 9.8279 k = 0.0000 0.1700 0.2353 ( 3708 PWs) bands (ev): -16.9824 -16.9824 -15.3524 -15.3524 -10.2386 -10.2386 -9.9520 -9.9520 -4.2196 -4.2196 -3.0472 -3.0472 -2.1085 -2.1085 -1.6934 -1.6934 -0.4049 -0.4049 -0.2551 -0.2551 1.5811 1.5811 2.0215 2.0215 2.1244 2.1244 2.4387 2.4387 2.5556 2.5556 2.9804 2.9804 7.4842 7.4842 7.7203 7.7203 9.8108 9.8108 9.8564 9.8564 k = 0.0000 0.1587 0.2353 ( 3708 PWs) bands (ev): -17.0012 -17.0012 -15.3400 -15.3400 -10.2444 -10.2444 -9.9539 -9.9539 -4.2067 -4.2067 -3.0708 -3.0708 -2.0363 -2.0363 -1.7200 -1.7200 -0.4191 -0.4191 -0.2224 -0.2224 1.5771 1.5771 2.0471 2.0471 2.1285 2.1285 2.4395 2.4395 2.5845 2.5845 2.9971 2.9971 7.4468 7.4468 7.6599 7.6599 9.8159 9.8159 9.8851 9.8851 k = 0.0000 0.1473 0.2353 ( 3706 PWs) bands (ev): -17.0188 -17.0188 -15.3286 -15.3286 -10.2500 -10.2500 -9.9558 -9.9558 -4.1935 -4.1935 -3.0928 -3.0928 -1.9649 -1.9649 -1.7456 -1.7456 -0.4358 -0.4358 -0.1917 -0.1917 1.5722 1.5722 2.0680 2.0680 2.1361 2.1361 2.4401 2.4401 2.6143 2.6143 3.0136 3.0136 7.4106 7.4106 7.6021 7.6021 9.8192 9.8192 9.9135 9.9135 k = 0.0000 0.1360 0.2353 ( 3710 PWs) bands (ev): -17.0352 -17.0352 -15.3180 -15.3180 -10.2551 -10.2551 -9.9576 -9.9576 -4.1802 -4.1802 -3.1132 -3.1132 -1.8947 -1.8947 -1.7700 -1.7700 -0.4548 -0.4548 -0.1633 -0.1633 1.5667 1.5667 2.0828 2.0828 2.1486 2.1486 2.4404 2.4404 2.6445 2.6445 3.0299 3.0299 7.3760 7.3760 7.5473 7.5473 9.8208 9.8208 9.9413 9.9413 k = 0.0000 0.1247 0.2353 ( 3702 PWs) bands (ev): -17.0504 -17.0504 -15.3084 -15.3084 -10.2599 -10.2599 -9.9594 -9.9594 -4.1670 -4.1670 -3.1321 -3.1321 -1.8264 -1.8264 -1.7925 -1.7925 -0.4762 -0.4762 -0.1371 -0.1371 1.5608 1.5608 2.0920 2.0920 2.1651 2.1651 2.4406 2.4406 2.6744 2.6744 3.0458 3.0458 7.3431 7.3431 7.4957 7.4957 9.8211 9.8211 9.9682 9.9682 k = 0.0000 0.1133 0.2353 ( 3692 PWs) bands (ev): -17.0643 -17.0643 -15.2996 -15.2996 -10.2643 -10.2643 -9.9611 -9.9611 -4.1541 -4.1541 -3.1493 -3.1493 -1.8160 -1.8160 -1.7573 -1.7573 -0.4995 -0.4995 -0.1131 -0.1131 1.5546 1.5546 2.0976 2.0976 2.1836 2.1836 2.4407 2.4407 2.7038 2.7038 3.0613 3.0613 7.3121 7.3121 7.4475 7.4475 9.8202 9.8202 9.9939 9.9939 k = 0.0000 0.1020 0.2353 ( 3702 PWs) bands (ev): -17.0769 -17.0769 -15.2917 -15.2917 -10.2683 -10.2683 -9.9627 -9.9627 -4.1417 -4.1417 -3.1649 -3.1649 -1.8360 -1.8360 -1.6923 -1.6923 -0.5247 -0.5247 -0.0914 -0.0914 1.5484 1.5484 2.1013 2.1013 2.2020 2.2020 2.4408 2.4408 2.7320 2.7320 3.0760 3.0760 7.2833 7.2833 7.4032 7.4032 9.8184 9.8184 10.0180 10.0180 k = 0.0000 0.0907 0.2353 ( 3714 PWs) bands (ev): -17.0883 -17.0883 -15.2847 -15.2847 -10.2720 -10.2720 -9.9642 -9.9642 -4.1300 -4.1300 -3.1789 -3.1789 -1.8545 -1.8545 -1.6295 -1.6295 -0.5514 -0.5514 -0.0719 -0.0719 1.5423 1.5423 2.1039 2.1039 2.2195 2.2195 2.4407 2.4407 2.7586 2.7586 3.0899 3.0899 7.2568 7.2568 7.3628 7.3628 9.8159 9.8159 10.0403 10.0403 k = 0.0000 0.0793 0.2353 ( 3718 PWs) bands (ev): -17.0984 -17.0984 -15.2785 -15.2785 -10.2752 -10.2752 -9.9655 -9.9655 -4.1192 -4.1192 -3.1913 -3.1913 -1.8713 -1.8713 -1.5696 -1.5696 -0.5790 -0.5790 -0.0548 -0.0548 1.5365 1.5365 2.1061 2.1061 2.2354 2.2354 2.4406 2.4406 2.7832 2.7832 3.1028 3.1028 7.2329 7.2329 7.3267 7.3267 9.8130 9.8130 10.0605 10.0605 k = 0.0000 0.0680 0.2353 ( 3710 PWs) bands (ev): -17.1071 -17.1071 -15.2732 -15.2732 -10.2779 -10.2779 -9.9667 -9.9667 -4.1094 -4.1094 -3.2020 -3.2020 -1.8862 -1.8862 -1.5133 -1.5133 -0.6071 -0.6071 -0.0399 -0.0399 1.5312 1.5312 2.1078 2.1078 2.2494 2.2494 2.4405 2.4405 2.8054 2.8054 3.1145 3.1145 7.2117 7.2117 7.2949 7.2949 9.8099 9.8099 10.0784 10.0784 k = 0.0000 0.0567 0.2353 ( 3710 PWs) bands (ev): -17.1145 -17.1145 -15.2687 -15.2687 -10.2803 -10.2803 -9.9678 -9.9678 -4.1008 -4.1008 -3.2111 -3.2111 -1.8990 -1.8990 -1.4617 -1.4617 -0.6348 -0.6348 -0.0273 -0.0273 1.5264 1.5264 2.1092 2.1092 2.2614 2.2614 2.4404 2.4404 2.8249 2.8249 3.1247 3.1247 7.1935 7.1935 7.2677 7.2677 9.8069 9.8069 10.0938 10.0938 k = 0.0000 0.0453 0.2353 ( 3714 PWs) bands (ev): -17.1206 -17.1206 -15.2650 -15.2650 -10.2823 -10.2823 -9.9686 -9.9686 -4.0935 -4.0935 -3.2185 -3.2185 -1.9097 -1.9097 -1.4159 -1.4159 -0.6609 -0.6609 -0.0170 -0.0170 1.5224 1.5224 2.1104 2.1104 2.2714 2.2714 2.4402 2.4402 2.8413 2.8413 3.1333 3.1333 7.1784 7.1784 7.2453 7.2453 9.8041 9.8041 10.1066 10.1066 k = 0.0000 0.0340 0.2353 ( 3714 PWs) bands (ev): -17.1254 -17.1254 -15.2622 -15.2622 -10.2838 -10.2838 -9.9693 -9.9693 -4.0878 -4.0878 -3.2243 -3.2243 -1.9180 -1.9180 -1.3773 -1.3773 -0.6841 -0.6841 -0.0090 -0.0090 1.5191 1.5191 2.1113 2.1113 2.2791 2.2791 2.4401 2.4401 2.8544 2.8544 3.1402 3.1402 7.1664 7.1664 7.2277 7.2277 9.8018 9.8018 10.1166 10.1166 k = 0.0000 0.0227 0.2353 ( 3712 PWs) bands (ev): -17.1288 -17.1288 -15.2601 -15.2601 -10.2849 -10.2849 -9.9698 -9.9698 -4.0836 -4.0836 -3.2284 -3.2284 -1.9241 -1.9241 -1.3477 -1.3477 -0.7027 -0.7027 -0.0033 -0.0033 1.5168 1.5168 2.1120 2.1120 2.2847 2.2847 2.4400 2.4400 2.8639 2.8639 3.1453 3.1453 7.1578 7.1578 7.2151 7.2151 9.8000 9.8000 10.1239 10.1239 k = 0.0000 0.0113 0.2353 ( 3710 PWs) bands (ev): -17.1308 -17.1308 -15.2589 -15.2589 -10.2855 -10.2855 -9.9701 -9.9701 -4.0810 -4.0810 -3.2309 -3.2309 -1.9277 -1.9277 -1.3289 -1.3289 -0.7148 -0.7148 0.0001 0.0001 1.5153 1.5153 2.1124 2.1124 2.2880 2.2880 2.4399 2.4399 2.8696 2.8696 3.1483 3.1483 7.1527 7.1527 7.2075 7.2075 9.7989 9.7989 10.1282 10.1282 k = 0.0000 0.0000 0.2353 ( 3704 PWs) bands (ev): -17.1315 -17.1315 -15.2585 -15.2585 -10.2857 -10.2857 -9.9702 -9.9702 -4.0802 -4.0802 -3.2317 -3.2317 -1.9290 -1.9290 -1.3225 -1.3225 -0.7190 -0.7190 0.0013 0.0013 1.5148 1.5148 2.1125 2.1125 2.2892 2.2892 2.4399 2.4399 2.8715 2.8715 3.1493 3.1493 7.1509 7.1509 7.2049 7.2049 9.7985 9.7985 10.1297 10.1297 k = 0.0000 0.4986-0.0000 ( 3654 PWs) bands (ev): -16.0942 -16.0942 -16.0942 -16.0942 -9.9978 -9.9978 -9.9978 -9.9978 -3.9331 -3.9331 -3.9331 -3.9331 -1.7810 -1.7810 -1.7810 -1.7810 -0.9130 -0.9130 -0.9130 -0.9130 1.8078 1.8078 1.8078 1.8078 2.1487 2.1487 2.1487 2.1487 2.3220 2.3220 2.3220 2.3220 8.5769 8.5769 8.5769 8.5769 9.5007 9.5007 9.5007 9.5007 k = 0.0000 0.4986 0.0112 ( 3654 PWs) bands (ev): -16.0942 -16.0942 -16.0942 -16.0942 -9.9978 -9.9978 -9.9978 -9.9978 -3.9330 -3.9330 -3.9330 -3.9330 -1.7810 -1.7810 -1.7810 -1.7810 -0.9127 -0.9127 -0.9127 -0.9127 1.8034 1.8034 1.8034 1.8034 2.1526 2.1526 2.1526 2.1526 2.3222 2.3222 2.3222 2.3222 8.5770 8.5770 8.5770 8.5770 9.5008 9.5008 9.5008 9.5008 k = 0.0000 0.4986 0.0224 ( 3660 PWs) bands (ev): -16.0942 -16.0942 -16.0942 -16.0942 -9.9978 -9.9978 -9.9978 -9.9978 -3.9330 -3.9330 -3.9330 -3.9330 -1.7810 -1.7810 -1.7810 -1.7810 -0.9116 -0.9116 -0.9116 -0.9116 1.7907 1.7907 1.7907 1.7907 2.1637 2.1637 2.1637 2.1637 2.3226 2.3226 2.3226 2.3226 8.5773 8.5773 8.5773 8.5773 9.5012 9.5012 9.5012 9.5012 k = 0.0000 0.4986 0.0336 ( 3656 PWs) bands (ev): -16.0942 -16.0942 -16.0942 -16.0942 -9.9978 -9.9978 -9.9978 -9.9978 -3.9329 -3.9329 -3.9329 -3.9329 -1.7810 -1.7810 -1.7810 -1.7810 -0.9099 -0.9099 -0.9099 -0.9099 1.7715 1.7715 1.7715 1.7715 2.1804 2.1804 2.1804 2.1804 2.3234 2.3234 2.3234 2.3234 8.5779 8.5779 8.5779 8.5779 9.5018 9.5018 9.5018 9.5018 k = 0.0000 0.4986 0.0448 ( 3656 PWs) bands (ev): -16.0942 -16.0942 -16.0942 -16.0942 -9.9978 -9.9978 -9.9978 -9.9978 -3.9328 -3.9328 -3.9328 -3.9328 -1.7810 -1.7810 -1.7810 -1.7810 -0.9075 -0.9075 -0.9075 -0.9075 1.7475 1.7475 1.7475 1.7475 2.2006 2.2006 2.2006 2.2006 2.3247 2.3247 2.3247 2.3247 8.5787 8.5787 8.5787 8.5787 9.5027 9.5027 9.5027 9.5027 k = 0.0000 0.4986 0.0560 ( 3666 PWs) bands (ev): -16.0942 -16.0942 -16.0942 -16.0942 -9.9979 -9.9979 -9.9979 -9.9979 -3.9327 -3.9327 -3.9327 -3.9327 -1.7810 -1.7810 -1.7810 -1.7810 -0.9046 -0.9046 -0.9046 -0.9046 1.7203 1.7203 1.7203 1.7203 2.2225 2.2225 2.2225 2.2225 2.3268 2.3268 2.3268 2.3268 8.5796 8.5796 8.5796 8.5796 9.5038 9.5038 9.5038 9.5038 k = 0.0000 0.4986 0.0672 ( 3666 PWs) bands (ev): -16.0942 -16.0942 -16.0942 -16.0942 -9.9980 -9.9980 -9.9980 -9.9980 -3.9326 -3.9326 -3.9326 -3.9326 -1.7810 -1.7810 -1.7810 -1.7810 -0.9010 -0.9010 -0.9010 -0.9010 1.6912 1.6912 1.6912 1.6912 2.2444 2.2444 2.2444 2.2444 2.3303 2.3303 2.3303 2.3303 8.5808 8.5808 8.5808 8.5808 9.5050 9.5050 9.5050 9.5050 k = 0.0000 0.4986 0.0784 ( 3666 PWs) bands (ev): -16.0942 -16.0942 -16.0942 -16.0942 -9.9980 -9.9980 -9.9980 -9.9980 -3.9324 -3.9324 -3.9324 -3.9324 -1.7810 -1.7810 -1.7810 -1.7810 -0.8971 -0.8971 -0.8971 -0.8971 1.6612 1.6612 1.6612 1.6612 2.2643 2.2643 2.2643 2.2643 2.3362 2.3362 2.3362 2.3362 8.5821 8.5821 8.5821 8.5821 9.5064 9.5064 9.5064 9.5064 k = 0.0000 0.4986 0.0897 ( 3670 PWs) bands (ev): -16.0942 -16.0942 -16.0942 -16.0942 -9.9981 -9.9981 -9.9981 -9.9981 -3.9322 -3.9322 -3.9322 -3.9322 -1.7810 -1.7810 -1.7810 -1.7810 -0.8927 -0.8927 -0.8927 -0.8927 1.6310 1.6310 1.6310 1.6310 2.2801 2.2801 2.2801 2.2801 2.3459 2.3459 2.3459 2.3459 8.5835 8.5835 8.5835 8.5835 9.5080 9.5080 9.5080 9.5080 k = 0.0000 0.4986 0.1009 ( 3674 PWs) bands (ev): -16.0942 -16.0942 -16.0942 -16.0942 -9.9982 -9.9982 -9.9982 -9.9982 -3.9320 -3.9320 -3.9320 -3.9320 -1.7810 -1.7810 -1.7810 -1.7810 -0.8880 -0.8880 -0.8880 -0.8880 1.6011 1.6011 1.6011 1.6011 2.2908 2.2908 2.2908 2.2908 2.3601 2.3601 2.3601 2.3601 8.5850 8.5850 8.5850 8.5850 9.5096 9.5096 9.5096 9.5096 k = 0.0000 0.4986 0.1121 ( 3678 PWs) bands (ev): -16.0942 -16.0942 -16.0942 -16.0942 -9.9982 -9.9982 -9.9982 -9.9982 -3.9318 -3.9318 -3.9318 -3.9318 -1.7810 -1.7810 -1.7810 -1.7810 -0.8831 -0.8831 -0.8831 -0.8831 1.5722 1.5722 1.5722 1.5722 2.2973 2.2973 2.2973 2.2973 2.3775 2.3775 2.3775 2.3775 8.5865 8.5865 8.5865 8.5865 9.5114 9.5114 9.5114 9.5114 k = 0.0000 0.4986 0.1233 ( 3678 PWs) bands (ev): -16.0942 -16.0942 -16.0942 -16.0942 -9.9983 -9.9983 -9.9983 -9.9983 -3.9316 -3.9316 -3.9316 -3.9316 -1.7810 -1.7810 -1.7810 -1.7810 -0.8782 -0.8782 -0.8782 -0.8782 1.5444 1.5444 1.5444 1.5444 2.3011 2.3011 2.3011 2.3011 2.3962 2.3962 2.3962 2.3962 8.5881 8.5881 8.5881 8.5881 9.5131 9.5131 9.5131 9.5131 k = 0.0000 0.4986 0.1345 ( 3670 PWs) bands (ev): -16.0942 -16.0942 -16.0942 -16.0942 -9.9984 -9.9984 -9.9984 -9.9984 -3.9314 -3.9314 -3.9314 -3.9314 -1.7809 -1.7809 -1.7809 -1.7809 -0.8732 -0.8732 -0.8732 -0.8732 1.5183 1.5183 1.5183 1.5183 2.3034 2.3034 2.3034 2.3034 2.4147 2.4147 2.4147 2.4147 8.5897 8.5897 8.5897 8.5897 9.5148 9.5148 9.5148 9.5148 k = 0.0000 0.4986 0.1457 ( 3664 PWs) bands (ev): -16.0942 -16.0942 -16.0942 -16.0942 -9.9985 -9.9985 -9.9985 -9.9985 -3.9312 -3.9312 -3.9312 -3.9312 -1.7809 -1.7809 -1.7809 -1.7809 -0.8684 -0.8684 -0.8684 -0.8684 1.4941 1.4941 1.4941 1.4941 2.3049 2.3049 2.3049 2.3049 2.4324 2.4324 2.4324 2.4324 8.5912 8.5912 8.5912 8.5912 9.5165 9.5165 9.5165 9.5165 k = 0.0000 0.4986 0.1569 ( 3664 PWs) bands (ev): -16.0942 -16.0942 -16.0942 -16.0942 -9.9985 -9.9985 -9.9985 -9.9985 -3.9311 -3.9311 -3.9311 -3.9311 -1.7809 -1.7809 -1.7809 -1.7809 -0.8638 -0.8638 -0.8638 -0.8638 1.4720 1.4720 1.4720 1.4720 2.3059 2.3059 2.3059 2.3059 2.4485 2.4485 2.4485 2.4485 8.5926 8.5926 8.5926 8.5926 9.5180 9.5180 9.5180 9.5180 k = 0.0000 0.4986 0.1681 ( 3656 PWs) bands (ev): -16.0942 -16.0942 -16.0942 -16.0942 -9.9986 -9.9986 -9.9986 -9.9986 -3.9309 -3.9309 -3.9309 -3.9309 -1.7809 -1.7809 -1.7809 -1.7809 -0.8595 -0.8595 -0.8595 -0.8595 1.4524 1.4524 1.4524 1.4524 2.3066 2.3066 2.3066 2.3066 2.4630 2.4630 2.4630 2.4630 8.5939 8.5939 8.5939 8.5939 9.5195 9.5195 9.5195 9.5195 k = 0.0000 0.4986 0.1793 ( 3660 PWs) bands (ev): -16.0942 -16.0942 -16.0942 -16.0942 -9.9987 -9.9987 -9.9987 -9.9987 -3.9307 -3.9307 -3.9307 -3.9307 -1.7809 -1.7809 -1.7809 -1.7809 -0.8557 -0.8557 -0.8557 -0.8557 1.4354 1.4354 1.4354 1.4354 2.3071 2.3071 2.3071 2.3071 2.4755 2.4755 2.4755 2.4755 8.5951 8.5951 8.5951 8.5951 9.5208 9.5208 9.5208 9.5208 k = 0.0000 0.4986 0.1905 ( 3662 PWs) bands (ev): -16.0942 -16.0942 -16.0942 -16.0942 -9.9987 -9.9987 -9.9987 -9.9987 -3.9306 -3.9306 -3.9306 -3.9306 -1.7809 -1.7809 -1.7809 -1.7809 -0.8525 -0.8525 -0.8525 -0.8525 1.4213 1.4213 1.4213 1.4213 2.3074 2.3074 2.3074 2.3074 2.4858 2.4858 2.4858 2.4858 8.5961 8.5961 8.5961 8.5961 9.5218 9.5218 9.5218 9.5218 k = 0.0000 0.4986 0.2017 ( 3666 PWs) bands (ev): -16.0942 -16.0942 -16.0942 -16.0942 -9.9988 -9.9988 -9.9988 -9.9988 -3.9305 -3.9305 -3.9305 -3.9305 -1.7809 -1.7809 -1.7809 -1.7809 -0.8498 -0.8498 -0.8498 -0.8498 1.4101 1.4101 1.4101 1.4101 2.3076 2.3076 2.3076 2.3076 2.4940 2.4940 2.4940 2.4940 8.5969 8.5969 8.5969 8.5969 9.5227 9.5227 9.5227 9.5227 k = 0.0000 0.4986 0.2129 ( 3646 PWs) bands (ev): -16.0942 -16.0942 -16.0942 -16.0942 -9.9988 -9.9988 -9.9988 -9.9988 -3.9304 -3.9304 -3.9304 -3.9304 -1.7809 -1.7809 -1.7809 -1.7809 -0.8479 -0.8479 -0.8479 -0.8479 1.4021 1.4021 1.4021 1.4021 2.3078 2.3078 2.3078 2.3078 2.4999 2.4999 2.4999 2.4999 8.5975 8.5975 8.5975 8.5975 9.5234 9.5234 9.5234 9.5234 k = 0.0000 0.4986 0.2241 ( 3642 PWs) bands (ev): -16.0942 -16.0942 -16.0942 -16.0942 -9.9988 -9.9988 -9.9988 -9.9988 -3.9304 -3.9304 -3.9304 -3.9304 -1.7809 -1.7809 -1.7809 -1.7809 -0.8467 -0.8467 -0.8467 -0.8467 1.3972 1.3972 1.3972 1.3972 2.3079 2.3079 2.3079 2.3079 2.5035 2.5035 2.5035 2.5035 8.5978 8.5978 8.5978 8.5978 9.5238 9.5238 9.5238 9.5238 k = 0.0000 0.4986 0.2353 ( 3632 PWs) bands (ev): -16.0941 -16.0941 -16.0941 -16.0941 -9.9988 -9.9988 -9.9988 -9.9988 -3.9304 -3.9304 -3.9304 -3.9304 -1.7809 -1.7809 -1.7809 -1.7809 -0.8463 -0.8463 -0.8463 -0.8463 1.3956 1.3956 1.3956 1.3956 2.3079 2.3079 2.3079 2.3079 2.5047 2.5047 2.5047 2.5047 8.5979 8.5979 8.5979 8.5979 9.5239 9.5239 9.5239 9.5239 k = 0.5000-0.0000 0.2353 ( 3624 PWs) bands (ev): -16.1677 -16.1677 -16.1677 -16.1677 -9.8935 -9.8935 -9.8935 -9.8935 -3.0661 -3.0661 -3.0661 -3.0661 -2.7851 -2.7851 -2.7851 -2.7851 -1.2469 -1.2469 -1.2469 -1.2469 0.9289 0.9289 0.9289 0.9289 2.4367 2.4367 2.4367 2.4367 3.1252 3.1252 3.1252 3.1252 8.7636 8.7636 8.7636 8.7636 11.9417 11.9417 11.9417 11.9417 k = 0.5000-0.0000 0.2241 ( 3626 PWs) bands (ev): -16.1677 -16.1677 -16.1677 -16.1677 -9.8935 -9.8935 -9.8935 -9.8935 -3.0661 -3.0661 -3.0661 -3.0661 -2.7851 -2.7851 -2.7851 -2.7851 -1.2473 -1.2473 -1.2473 -1.2473 0.9301 0.9301 0.9301 0.9301 2.4358 2.4358 2.4358 2.4358 3.1252 3.1252 3.1252 3.1252 8.7639 8.7639 8.7639 8.7639 11.9374 11.9374 11.9374 11.9374 k = 0.5000-0.0000 0.2129 ( 3642 PWs) bands (ev): -16.1677 -16.1677 -16.1677 -16.1677 -9.8935 -9.8935 -9.8935 -9.8935 -3.0662 -3.0662 -3.0662 -3.0662 -2.7851 -2.7851 -2.7851 -2.7851 -1.2483 -1.2483 -1.2483 -1.2483 0.9338 0.9338 0.9338 0.9338 2.4331 2.4331 2.4331 2.4331 3.1252 3.1252 3.1252 3.1252 8.7647 8.7647 8.7647 8.7647 11.9244 11.9244 11.9244 11.9244 k = 0.5000-0.0000 0.2017 ( 3650 PWs) bands (ev): -16.1677 -16.1677 -16.1677 -16.1677 -9.8935 -9.8935 -9.8935 -9.8935 -3.0663 -3.0663 -3.0663 -3.0663 -2.7851 -2.7851 -2.7851 -2.7851 -1.2500 -1.2500 -1.2500 -1.2500 0.9399 0.9399 0.9399 0.9399 2.4287 2.4287 2.4287 2.4287 3.1253 3.1253 3.1253 3.1253 8.7662 8.7662 8.7662 8.7662 11.9038 11.9038 11.9038 11.9038 k = 0.5000-0.0000 0.1905 ( 3662 PWs) bands (ev): -16.1677 -16.1677 -16.1677 -16.1677 -9.8935 -9.8935 -9.8935 -9.8935 -3.0665 -3.0665 -3.0665 -3.0665 -2.7851 -2.7851 -2.7851 -2.7851 -1.2523 -1.2523 -1.2523 -1.2523 0.9483 0.9483 0.9483 0.9483 2.4226 2.4226 2.4226 2.4226 3.1253 3.1253 3.1253 3.1253 8.7682 8.7682 8.7682 8.7682 11.8763 11.8763 11.8763 11.8763 k = 0.5000-0.0000 0.1793 ( 3668 PWs) bands (ev): -16.1677 -16.1677 -16.1677 -16.1677 -9.8934 -9.8934 -9.8934 -9.8934 -3.0668 -3.0668 -3.0668 -3.0668 -2.7851 -2.7851 -2.7851 -2.7851 -1.2552 -1.2552 -1.2552 -1.2552 0.9588 0.9588 0.9588 0.9588 2.4149 2.4149 2.4149 2.4149 3.1253 3.1253 3.1253 3.1253 8.7707 8.7707 8.7707 8.7707 11.8435 11.8435 11.8435 11.8435 k = 0.5000-0.0000 0.1681 ( 3664 PWs) bands (ev): -16.1677 -16.1677 -16.1677 -16.1677 -9.8933 -9.8933 -9.8933 -9.8933 -3.0671 -3.0671 -3.0671 -3.0671 -2.7851 -2.7851 -2.7851 -2.7851 -1.2585 -1.2585 -1.2585 -1.2585 0.9713 0.9713 0.9713 0.9713 2.4058 2.4058 2.4058 2.4058 3.1254 3.1254 3.1254 3.1254 8.7737 8.7737 8.7737 8.7737 11.8065 11.8065 11.8065 11.8065 k = 0.5000-0.0000 0.1569 ( 3674 PWs) bands (ev): -16.1677 -16.1677 -16.1677 -16.1677 -9.8933 -9.8933 -9.8933 -9.8933 -3.0674 -3.0674 -3.0674 -3.0674 -2.7851 -2.7851 -2.7851 -2.7851 -1.2623 -1.2623 -1.2623 -1.2623 0.9855 0.9855 0.9855 0.9855 2.3953 2.3953 2.3953 2.3953 3.1254 3.1254 3.1254 3.1254 8.7771 8.7771 8.7771 8.7771 11.7667 11.7667 11.7667 11.7667 k = 0.5000-0.0000 0.1457 ( 3682 PWs) bands (ev): -16.1677 -16.1677 -16.1677 -16.1677 -9.8932 -9.8932 -9.8932 -9.8932 -3.0678 -3.0678 -3.0678 -3.0678 -2.7851 -2.7851 -2.7851 -2.7851 -1.2663 -1.2663 -1.2663 -1.2663 1.0011 1.0011 1.0011 1.0011 2.3836 2.3836 2.3836 2.3836 3.1255 3.1255 3.1255 3.1255 8.7808 8.7808 8.7808 8.7808 11.7253 11.7253 11.7253 11.7253 k = 0.5000-0.0000 0.1345 ( 3684 PWs) bands (ev): -16.1677 -16.1677 -16.1677 -16.1677 -9.8931 -9.8931 -9.8931 -9.8931 -3.0682 -3.0682 -3.0682 -3.0682 -2.7851 -2.7851 -2.7851 -2.7851 -1.2706 -1.2706 -1.2706 -1.2706 1.0180 1.0180 1.0180 1.0180 2.3710 2.3710 2.3710 2.3710 3.1256 3.1256 3.1256 3.1256 8.7848 8.7848 8.7848 8.7848 11.6833 11.6833 11.6833 11.6833 k = 0.5000-0.0000 0.1233 ( 3688 PWs) bands (ev): -16.1677 -16.1677 -16.1677 -16.1677 -9.8930 -9.8930 -9.8930 -9.8930 -3.0686 -3.0686 -3.0686 -3.0686 -2.7851 -2.7851 -2.7851 -2.7851 -1.2749 -1.2749 -1.2749 -1.2749 1.0357 1.0357 1.0357 1.0357 2.3576 2.3576 2.3576 2.3576 3.1256 3.1256 3.1256 3.1256 8.7889 8.7889 8.7889 8.7889 11.6418 11.6418 11.6418 11.6418 k = 0.5000-0.0000 0.1121 ( 3684 PWs) bands (ev): -16.1677 -16.1677 -16.1677 -16.1677 -9.8930 -9.8930 -9.8930 -9.8930 -3.0690 -3.0690 -3.0690 -3.0690 -2.7851 -2.7851 -2.7851 -2.7851 -1.2793 -1.2793 -1.2793 -1.2793 1.0539 1.0539 1.0539 1.0539 2.3437 2.3437 2.3437 2.3437 3.1257 3.1257 3.1257 3.1257 8.7932 8.7932 8.7932 8.7932 11.6015 11.6015 11.6015 11.6015 k = 0.5000-0.0000 0.1009 ( 3674 PWs) bands (ev): -16.1677 -16.1677 -16.1677 -16.1677 -9.8929 -9.8929 -9.8929 -9.8929 -3.0694 -3.0694 -3.0694 -3.0694 -2.7852 -2.7852 -2.7852 -2.7852 -1.2836 -1.2836 -1.2836 -1.2836 1.0723 1.0723 1.0723 1.0723 2.3296 2.3296 2.3296 2.3296 3.1258 3.1258 3.1258 3.1258 8.7975 8.7975 8.7975 8.7975 11.5632 11.5632 11.5632 11.5632 k = 0.5000-0.0000 0.0897 ( 3674 PWs) bands (ev): -16.1677 -16.1677 -16.1677 -16.1677 -9.8928 -9.8928 -9.8928 -9.8928 -3.0698 -3.0698 -3.0698 -3.0698 -2.7852 -2.7852 -2.7852 -2.7852 -1.2877 -1.2877 -1.2877 -1.2877 1.0904 1.0904 1.0904 1.0904 2.3156 2.3156 2.3156 2.3156 3.1258 3.1258 3.1258 3.1258 8.8016 8.8016 8.8016 8.8016 11.5274 11.5274 11.5274 11.5274 k = 0.5000-0.0000 0.0784 ( 3670 PWs) bands (ev): -16.1677 -16.1677 -16.1677 -16.1677 -9.8927 -9.8927 -9.8927 -9.8927 -3.0701 -3.0701 -3.0701 -3.0701 -2.7852 -2.7852 -2.7852 -2.7852 -1.2916 -1.2916 -1.2916 -1.2916 1.1077 1.1077 1.1077 1.1077 2.3021 2.3021 2.3021 2.3021 3.1259 3.1259 3.1259 3.1259 8.8056 8.8056 8.8056 8.8056 11.4946 11.4946 11.4946 11.4946 k = 0.5000-0.0000 0.0672 ( 3670 PWs) bands (ev): -16.1677 -16.1677 -16.1677 -16.1677 -9.8926 -9.8926 -9.8926 -9.8926 -3.0705 -3.0705 -3.0705 -3.0705 -2.7852 -2.7852 -2.7852 -2.7852 -1.2951 -1.2951 -1.2951 -1.2951 1.1239 1.1239 1.1239 1.1239 2.2893 2.2893 2.2893 2.2893 3.1260 3.1260 3.1260 3.1260 8.8093 8.8093 8.8093 8.8093 11.4654 11.4654 11.4654 11.4654 k = 0.5000-0.0000 0.0560 ( 3666 PWs) bands (ev): -16.1677 -16.1677 -16.1677 -16.1677 -9.8926 -9.8926 -9.8926 -9.8926 -3.0708 -3.0708 -3.0708 -3.0708 -2.7852 -2.7852 -2.7852 -2.7852 -1.2982 -1.2982 -1.2982 -1.2982 1.1386 1.1386 1.1386 1.1386 2.2777 2.2777 2.2777 2.2777 3.1260 3.1260 3.1260 3.1260 8.8126 8.8126 8.8126 8.8126 11.4401 11.4401 11.4401 11.4401 k = 0.5000-0.0000 0.0448 ( 3660 PWs) bands (ev): -16.1677 -16.1677 -16.1677 -16.1677 -9.8925 -9.8925 -9.8925 -9.8925 -3.0710 -3.0710 -3.0710 -3.0710 -2.7852 -2.7852 -2.7852 -2.7852 -1.3008 -1.3008 -1.3008 -1.3008 1.1513 1.1513 1.1513 1.1513 2.2676 2.2676 2.2676 2.2676 3.1261 3.1261 3.1261 3.1261 8.8154 8.8154 8.8154 8.8154 11.4189 11.4189 11.4189 11.4189 k = 0.5000-0.0000 0.0336 ( 3668 PWs) bands (ev): -16.1677 -16.1677 -16.1677 -16.1677 -9.8925 -9.8925 -9.8925 -9.8925 -3.0712 -3.0712 -3.0712 -3.0712 -2.7852 -2.7852 -2.7852 -2.7852 -1.3029 -1.3029 -1.3029 -1.3029 1.1616 1.1616 1.1616 1.1616 2.2594 2.2594 2.2594 2.2594 3.1261 3.1261 3.1261 3.1261 8.8177 8.8177 8.8177 8.8177 11.4022 11.4022 11.4022 11.4022 k = 0.5000-0.0000 0.0224 ( 3668 PWs) bands (ev): -16.1677 -16.1677 -16.1677 -16.1677 -9.8925 -9.8925 -9.8925 -9.8925 -3.0714 -3.0714 -3.0714 -3.0714 -2.7852 -2.7852 -2.7852 -2.7852 -1.3044 -1.3044 -1.3044 -1.3044 1.1692 1.1692 1.1692 1.1692 2.2533 2.2533 2.2533 2.2533 3.1261 3.1261 3.1261 3.1261 8.8193 8.8193 8.8193 8.8193 11.3902 11.3902 11.3902 11.3902 k = 0.5000-0.0000 0.0112 ( 3662 PWs) bands (ev): -16.1677 -16.1677 -16.1677 -16.1677 -9.8924 -9.8924 -9.8924 -9.8924 -3.0715 -3.0715 -3.0715 -3.0715 -2.7852 -2.7852 -2.7852 -2.7852 -1.3054 -1.3054 -1.3054 -1.3054 1.1739 1.1739 1.1739 1.1739 2.2495 2.2495 2.2495 2.2495 3.1261 3.1261 3.1261 3.1261 8.8203 8.8203 8.8203 8.8203 11.3829 11.3829 11.3829 11.3829 k = 0.5000-0.0000-0.0000 ( 3662 PWs) bands (ev): -16.1677 -16.1677 -16.1677 -16.1677 -9.8924 -9.8924 -9.8924 -9.8924 -3.0715 -3.0715 -3.0715 -3.0715 -2.7852 -2.7852 -2.7852 -2.7852 -1.3057 -1.3057 -1.3057 -1.3057 1.1755 1.1755 1.1755 1.1755 2.2482 2.2482 2.2482 2.2482 3.1261 3.1261 3.1261 3.1261 8.8207 8.8207 8.8207 8.8207 11.3804 11.3804 11.3804 11.3804 k = 0.5000 0.4986-0.0000 ( 3660 PWs) bands (ev): -15.9360 -15.9360 -15.9360 -15.9360 -9.6931 -9.6931 -9.6931 -9.6931 -5.3223 -5.3223 -5.3223 -5.3223 -1.0815 -1.0815 -1.0815 -1.0815 -0.9304 -0.9304 -0.9304 -0.9304 0.7425 0.7425 0.7425 0.7425 1.9896 1.9896 1.9896 1.9896 2.3347 2.3347 2.3347 2.3347 10.1136 10.1136 10.1136 10.1136 10.5188 10.5188 10.5188 10.5188 k = 0.5000 0.4986 0.0112 ( 3656 PWs) bands (ev): -15.9360 -15.9360 -15.9360 -15.9360 -9.6931 -9.6931 -9.6931 -9.6931 -5.3223 -5.3223 -5.3223 -5.3223 -1.0813 -1.0813 -1.0813 -1.0813 -0.9305 -0.9305 -0.9305 -0.9305 0.7425 0.7425 0.7425 0.7425 1.9898 1.9898 1.9898 1.9898 2.3344 2.3344 2.3344 2.3344 10.1118 10.1118 10.1118 10.1118 10.5210 10.5210 10.5210 10.5210 k = 0.5000 0.4986 0.0224 ( 3656 PWs) bands (ev): -15.9360 -15.9360 -15.9360 -15.9360 -9.6932 -9.6932 -9.6932 -9.6932 -5.3223 -5.3223 -5.3223 -5.3223 -1.0810 -1.0810 -1.0810 -1.0810 -0.9308 -0.9308 -0.9308 -0.9308 0.7426 0.7426 0.7426 0.7426 1.9904 1.9904 1.9904 1.9904 2.3335 2.3335 2.3335 2.3335 10.1065 10.1065 10.1065 10.1065 10.5274 10.5274 10.5274 10.5274 k = 0.5000 0.4986 0.0336 ( 3656 PWs) bands (ev): -15.9360 -15.9360 -15.9360 -15.9360 -9.6932 -9.6932 -9.6932 -9.6932 -5.3222 -5.3222 -5.3222 -5.3222 -1.0804 -1.0804 -1.0804 -1.0804 -0.9313 -0.9313 -0.9313 -0.9313 0.7427 0.7427 0.7427 0.7427 1.9914 1.9914 1.9914 1.9914 2.3320 2.3320 2.3320 2.3320 10.0978 10.0978 10.0978 10.0978 10.5380 10.5380 10.5380 10.5380 k = 0.5000 0.4986 0.0448 ( 3672 PWs) bands (ev): -15.9360 -15.9360 -15.9360 -15.9360 -9.6932 -9.6932 -9.6932 -9.6932 -5.3222 -5.3222 -5.3222 -5.3222 -1.0797 -1.0797 -1.0797 -1.0797 -0.9320 -0.9320 -0.9320 -0.9320 0.7428 0.7428 0.7428 0.7428 1.9928 1.9928 1.9928 1.9928 2.3299 2.3299 2.3299 2.3299 10.0860 10.0860 10.0860 10.0860 10.5526 10.5526 10.5526 10.5526 k = 0.5000 0.4986 0.0560 ( 3668 PWs) bands (ev): -15.9360 -15.9360 -15.9360 -15.9360 -9.6932 -9.6932 -9.6932 -9.6932 -5.3222 -5.3222 -5.3222 -5.3222 -1.0787 -1.0787 -1.0787 -1.0787 -0.9328 -0.9328 -0.9328 -0.9328 0.7430 0.7430 0.7430 0.7430 1.9944 1.9944 1.9944 1.9944 2.3273 2.3273 2.3273 2.3273 10.0716 10.0716 10.0716 10.0716 10.5713 10.5713 10.5713 10.5713 k = 0.5000 0.4986 0.0672 ( 3676 PWs) bands (ev): -15.9360 -15.9360 -15.9360 -15.9360 -9.6933 -9.6933 -9.6933 -9.6933 -5.3221 -5.3221 -5.3221 -5.3221 -1.0776 -1.0776 -1.0776 -1.0776 -0.9337 -0.9337 -0.9337 -0.9337 0.7433 0.7433 0.7433 0.7433 1.9964 1.9964 1.9964 1.9964 2.3243 2.3243 2.3243 2.3243 10.0550 10.0550 10.0550 10.0550 10.5937 10.5937 10.5937 10.5937 k = 0.5000 0.4986 0.0784 ( 3672 PWs) bands (ev): -15.9360 -15.9360 -15.9360 -15.9360 -9.6933 -9.6933 -9.6933 -9.6933 -5.3220 -5.3220 -5.3220 -5.3220 -1.0763 -1.0763 -1.0763 -1.0763 -0.9348 -0.9348 -0.9348 -0.9348 0.7435 0.7435 0.7435 0.7435 1.9986 1.9986 1.9986 1.9986 2.3209 2.3209 2.3209 2.3209 10.0366 10.0366 10.0366 10.0366 10.6196 10.6196 10.6196 10.6196 k = 0.5000 0.4986 0.0897 ( 3664 PWs) bands (ev): -15.9360 -15.9360 -15.9360 -15.9360 -9.6933 -9.6933 -9.6933 -9.6933 -5.3219 -5.3219 -5.3219 -5.3219 -1.0749 -1.0749 -1.0749 -1.0749 -0.9360 -0.9360 -0.9360 -0.9360 0.7438 0.7438 0.7438 0.7438 2.0010 2.0010 2.0010 2.0010 2.3172 2.3172 2.3172 2.3172 10.0170 10.0170 10.0170 10.0170 10.6487 10.6487 10.6487 10.6487 k = 0.5000 0.4986 0.1009 ( 3652 PWs) bands (ev): -15.9360 -15.9360 -15.9360 -15.9360 -9.6934 -9.6934 -9.6934 -9.6934 -5.3219 -5.3219 -5.3219 -5.3219 -1.0735 -1.0735 -1.0735 -1.0735 -0.9372 -0.9372 -0.9372 -0.9372 0.7441 0.7441 0.7441 0.7441 2.0036 2.0036 2.0036 2.0036 2.3133 2.3133 2.3133 2.3133 9.9966 9.9966 9.9966 9.9966 10.6807 10.6807 10.6807 10.6807 k = 0.5000 0.4986 0.1121 ( 3652 PWs) bands (ev): -15.9360 -15.9360 -15.9360 -15.9360 -9.6934 -9.6934 -9.6934 -9.6934 -5.3218 -5.3218 -5.3218 -5.3218 -1.0719 -1.0719 -1.0719 -1.0719 -0.9385 -0.9385 -0.9385 -0.9385 0.7444 0.7444 0.7444 0.7444 2.0062 2.0062 2.0062 2.0062 2.3093 2.3093 2.3093 2.3093 9.9760 9.9760 9.9760 9.9760 10.7151 10.7151 10.7151 10.7151 k = 0.5000 0.4986 0.1233 ( 3656 PWs) bands (ev): -15.9360 -15.9360 -15.9360 -15.9360 -9.6935 -9.6935 -9.6935 -9.6935 -5.3217 -5.3217 -5.3217 -5.3217 -1.0704 -1.0704 -1.0704 -1.0704 -0.9398 -0.9398 -0.9398 -0.9398 0.7447 0.7447 0.7447 0.7447 2.0089 2.0089 2.0089 2.0089 2.3052 2.3052 2.3052 2.3052 9.9556 9.9556 9.9556 9.9556 10.7514 10.7514 10.7514 10.7514 k = 0.5000 0.4986 0.1345 ( 3648 PWs) bands (ev): -15.9359 -15.9359 -15.9359 -15.9359 -9.6935 -9.6935 -9.6935 -9.6935 -5.3216 -5.3216 -5.3216 -5.3216 -1.0689 -1.0689 -1.0689 -1.0689 -0.9411 -0.9411 -0.9411 -0.9411 0.7450 0.7450 0.7450 0.7450 2.0115 2.0115 2.0115 2.0115 2.3011 2.3011 2.3011 2.3011 9.9358 9.9358 9.9358 9.9358 10.7890 10.7890 10.7890 10.7890 k = 0.5000 0.4986 0.1457 ( 3652 PWs) bands (ev): -15.9359 -15.9359 -15.9359 -15.9359 -9.6936 -9.6936 -9.6936 -9.6936 -5.3215 -5.3215 -5.3215 -5.3215 -1.0674 -1.0674 -1.0674 -1.0674 -0.9423 -0.9423 -0.9423 -0.9423 0.7453 0.7453 0.7453 0.7453 2.0140 2.0140 2.0140 2.0140 2.2972 2.2972 2.2972 2.2972 9.9171 9.9171 9.9171 9.9171 10.8272 10.8272 10.8272 10.8272 k = 0.5000 0.4986 0.1569 ( 3660 PWs) bands (ev): -15.9359 -15.9359 -15.9359 -15.9359 -9.6936 -9.6936 -9.6936 -9.6936 -5.3215 -5.3215 -5.3215 -5.3215 -1.0660 -1.0660 -1.0660 -1.0660 -0.9435 -0.9435 -0.9435 -0.9435 0.7456 0.7456 0.7456 0.7456 2.0164 2.0164 2.0164 2.0164 2.2936 2.2936 2.2936 2.2936 9.8997 9.8997 9.8997 9.8997 10.8651 10.8651 10.8651 10.8651 k = 0.5000 0.4986 0.1681 ( 3664 PWs) bands (ev): -15.9359 -15.9359 -15.9359 -15.9359 -9.6936 -9.6936 -9.6936 -9.6936 -5.3214 -5.3214 -5.3214 -5.3214 -1.0647 -1.0647 -1.0647 -1.0647 -0.9446 -0.9446 -0.9446 -0.9446 0.7458 0.7458 0.7458 0.7458 2.0186 2.0186 2.0186 2.0186 2.2902 2.2902 2.2902 2.2902 9.8840 9.8840 9.8840 9.8840 10.9018 10.9018 10.9018 10.9018 k = 0.5000 0.4986 0.1793 ( 3672 PWs) bands (ev): -15.9359 -15.9359 -15.9359 -15.9359 -9.6937 -9.6937 -9.6937 -9.6937 -5.3213 -5.3213 -5.3213 -5.3213 -1.0636 -1.0636 -1.0636 -1.0636 -0.9455 -0.9455 -0.9455 -0.9455 0.7461 0.7461 0.7461 0.7461 2.0206 2.0206 2.0206 2.0206 2.2872 2.2872 2.2872 2.2872 9.8703 9.8703 9.8703 9.8703 10.9362 10.9362 10.9362 10.9362 k = 0.5000 0.4986 0.1905 ( 3684 PWs) bands (ev): -15.9359 -15.9359 -15.9359 -15.9359 -9.6937 -9.6937 -9.6937 -9.6937 -5.3213 -5.3213 -5.3213 -5.3213 -1.0626 -1.0626 -1.0626 -1.0626 -0.9463 -0.9463 -0.9463 -0.9463 0.7462 0.7462 0.7462 0.7462 2.0222 2.0222 2.0222 2.0222 2.2847 2.2847 2.2847 2.2847 9.8587 9.8587 9.8587 9.8587 10.9669 10.9669 10.9669 10.9669 k = 0.5000 0.4986 0.2017 ( 3692 PWs) bands (ev): -15.9359 -15.9359 -15.9359 -15.9359 -9.6937 -9.6937 -9.6937 -9.6937 -5.3212 -5.3212 -5.3212 -5.3212 -1.0618 -1.0618 -1.0618 -1.0618 -0.9470 -0.9470 -0.9470 -0.9470 0.7464 0.7464 0.7464 0.7464 2.0235 2.0235 2.0235 2.0235 2.2827 2.2827 2.2827 2.2827 9.8496 9.8496 9.8496 9.8496 10.9928 10.9928 10.9928 10.9928 k = 0.5000 0.4986 0.2129 ( 3696 PWs) bands (ev): -15.9359 -15.9359 -15.9359 -15.9359 -9.6937 -9.6937 -9.6937 -9.6937 -5.3212 -5.3212 -5.3212 -5.3212 -1.0612 -1.0612 -1.0612 -1.0612 -0.9474 -0.9474 -0.9474 -0.9474 0.7465 0.7465 0.7465 0.7465 2.0245 2.0245 2.0245 2.0245 2.2812 2.2812 2.2812 2.2812 9.8429 9.8429 9.8429 9.8429 11.0124 11.0124 11.0124 11.0124 k = 0.5000 0.4986 0.2241 ( 3688 PWs) bands (ev): -15.9359 -15.9359 -15.9359 -15.9359 -9.6938 -9.6938 -9.6938 -9.6938 -5.3212 -5.3212 -5.3212 -5.3212 -1.0609 -1.0609 -1.0609 -1.0609 -0.9477 -0.9477 -0.9477 -0.9477 0.7466 0.7466 0.7466 0.7466 2.0251 2.0251 2.0251 2.0251 2.2803 2.2803 2.2803 2.2803 9.8389 9.8389 9.8389 9.8389 11.0247 11.0247 11.0247 11.0247 k = 0.5000 0.4986 0.2353 ( 3688 PWs) bands (ev): -15.9359 -15.9359 -15.9359 -15.9359 -9.6938 -9.6938 -9.6938 -9.6938 -5.3212 -5.3212 -5.3212 -5.3212 -1.0608 -1.0608 -1.0608 -1.0608 -0.9478 -0.9478 -0.9478 -0.9478 0.7466 0.7466 0.7466 0.7466 2.0253 2.0253 2.0253 2.0253 2.2800 2.2800 2.2800 2.2800 9.8375 9.8375 9.8375 9.8375 11.0288 11.0288 11.0288 11.0288 Writing output data file AlClO.save init_run : 0.29s CPU 0.39s WALL ( 1 calls) electrons : 122.00s CPU 124.38s 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 : 122.00s CPU 124.37s 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 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.06s WALL ( 448 calls) cegterg : 110.60s CPU 112.20s WALL ( 454 calls) Called by sum_band: Called by *egterg: h_psi : 59.34s CPU 60.61s WALL ( 7951 calls) s_psi : 5.28s CPU 5.44s WALL ( 7951 calls) g_psi : 0.21s CPU 0.20s WALL ( 7049 calls) cdiaghg : 40.92s CPU 41.37s WALL ( 7497 calls) cegterg:over : 4.27s CPU 4.41s WALL ( 7049 calls) cegterg:upda : 4.02s CPU 3.89s WALL ( 7049 calls) cegterg:last : 2.14s CPU 2.07s WALL ( 1410 calls) cdiaghg:chol : 2.39s CPU 2.33s WALL ( 7497 calls) cdiaghg:inve : 1.32s CPU 1.35s WALL ( 7497 calls) cdiaghg:para : 2.29s CPU 2.32s WALL ( 14994 calls) Called by h_psi: h_psi:vloc : 46.60s CPU 47.72s WALL ( 7951 calls) h_psi:vnl : 12.58s CPU 12.71s WALL ( 7951 calls) add_vuspsi : 6.41s CPU 6.32s WALL ( 7951 calls) General routines calbec : 6.16s CPU 6.37s WALL ( 7951 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 43.47s CPU 44.45s WALL ( 768016 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.18s CPU 0.47s WALL ( 896 calls) Parallel routines fft_scatter : 18.41s CPU 19.02s WALL ( 768039 calls) PWSCF : 2m18.56s CPU 2m33.91s WALL This run was terminated on: 18:38: 5 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=