Program PWSCF v.5.4.0 starts on 20Mar2017 at 23:44:48 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 144 processor cores Number of MPI processes: 72 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 72 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: ./CaHI.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file I.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 18 12 3 1058 580 89 Max 19 13 4 1068 596 104 Sum 1305 869 253 76545 42181 6795 bravais-lattice index = 14 lattice parameter (alat) = 7.6931 a.u. unit-cell volume = 999.9650 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 274.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.693075 celldm(2)= 1.000000 celldm(3)= 2.196266 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 2.196266 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.455318 ) PseudoPot. # 1 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for I read from file: /users/gautes/Pseudo/I.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5 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 1247 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 H 1.00 1.00790 H( 1.00) Ca 10.00 40.07800 Ca( 1.00) I 7.00 126.90450 I( 1.00) 4 Sym. Ops., with inversion, found (note: 12 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,1,0] cryst. s( 2) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 2) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s( 4) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [1,1,0] -C2 -2 180 deg rotation - cart. axis [1,1,0] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [1,1,0] -s_h -4 inv. 180 deg rotation - cart. axis [1,1,0] E Cartesian axes number of k points= 329 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030395 k( 2) = ( 0.0000000 0.0128205 -0.0000000), wk = 0.0030395 k( 3) = ( 0.0000000 0.0256410 -0.0000000), wk = 0.0030395 k( 4) = ( 0.0000000 0.0384615 -0.0000000), wk = 0.0030395 k( 5) = ( 0.0000000 0.0512821 -0.0000000), wk = 0.0030395 k( 6) = ( 0.0000000 0.0641026 -0.0000000), wk = 0.0030395 k( 7) = ( 0.0000000 0.0769231 -0.0000000), wk = 0.0030395 k( 8) = ( 0.0000000 0.0897436 -0.0000000), wk = 0.0030395 k( 9) = ( 0.0000000 0.1025641 -0.0000000), wk = 0.0030395 k( 10) = ( 0.0000000 0.1153846 -0.0000000), wk = 0.0030395 k( 11) = ( 0.0000000 0.1282051 -0.0000000), wk = 0.0030395 k( 12) = ( 0.0000000 0.1410256 -0.0000000), wk = 0.0030395 k( 13) = ( 0.0000000 0.1538461 -0.0000000), wk = 0.0030395 k( 14) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0030395 k( 15) = ( 0.0000000 0.1794872 -0.0000000), wk = 0.0030395 k( 16) = ( 0.0000000 0.1923077 -0.0000000), wk = 0.0030395 k( 17) = ( 0.0000000 0.2051282 -0.0000000), wk = 0.0030395 k( 18) = ( 0.0000000 0.2179487 -0.0000000), wk = 0.0030395 k( 19) = ( 0.0000000 0.2307692 -0.0000000), wk = 0.0030395 k( 20) = ( 0.0000000 0.2435897 -0.0000000), wk = 0.0030395 k( 21) = ( 0.0000000 0.2564103 -0.0000000), wk = 0.0030395 k( 22) = ( 0.0000000 0.2692308 -0.0000000), wk = 0.0030395 k( 23) = ( 0.0000000 0.2820513 -0.0000000), wk = 0.0030395 k( 24) = ( 0.0000000 0.2948718 -0.0000000), wk = 0.0030395 k( 25) = ( 0.0000000 0.3076923 -0.0000000), wk = 0.0030395 k( 26) = ( 0.0000000 0.3205128 -0.0000000), wk = 0.0030395 k( 27) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0030395 k( 28) = ( 0.0000000 0.3461538 -0.0000000), wk = 0.0030395 k( 29) = ( 0.0000000 0.3589744 -0.0000000), wk = 0.0030395 k( 30) = ( 0.0000000 0.3717949 -0.0000000), wk = 0.0030395 k( 31) = ( 0.0000000 0.3846154 -0.0000000), wk = 0.0030395 k( 32) = ( 0.0000000 0.3974359 -0.0000000), wk = 0.0030395 k( 33) = ( 0.0000000 0.4102564 -0.0000000), wk = 0.0030395 k( 34) = ( 0.0000000 0.4230769 -0.0000000), wk = 0.0030395 k( 35) = ( 0.0000000 0.4358974 -0.0000000), wk = 0.0030395 k( 36) = ( 0.0000000 0.4487179 -0.0000000), wk = 0.0030395 k( 37) = ( 0.0000000 0.4615385 -0.0000000), wk = 0.0030395 k( 38) = ( 0.0000000 0.4743590 -0.0000000), wk = 0.0030395 k( 39) = ( 0.0000000 0.4871795 -0.0000000), wk = 0.0030395 k( 40) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030395 k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030395 k( 42) = ( 0.0128205 0.5000000 -0.0000000), wk = 0.0030395 k( 43) = ( 0.0256410 0.5000000 -0.0000000), wk = 0.0030395 k( 44) = ( 0.0384615 0.5000000 -0.0000000), wk = 0.0030395 k( 45) = ( 0.0512821 0.5000000 -0.0000000), wk = 0.0030395 k( 46) = ( 0.0641026 0.5000000 -0.0000000), wk = 0.0030395 k( 47) = ( 0.0769231 0.5000000 -0.0000000), wk = 0.0030395 k( 48) = ( 0.0897436 0.5000000 -0.0000000), wk = 0.0030395 k( 49) = ( 0.1025641 0.5000000 -0.0000000), wk = 0.0030395 k( 50) = ( 0.1153846 0.5000000 -0.0000000), wk = 0.0030395 k( 51) = ( 0.1282051 0.5000000 -0.0000000), wk = 0.0030395 k( 52) = ( 0.1410256 0.5000000 -0.0000000), wk = 0.0030395 k( 53) = ( 0.1538461 0.5000000 -0.0000000), wk = 0.0030395 k( 54) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0030395 k( 55) = ( 0.1794872 0.5000000 -0.0000000), wk = 0.0030395 k( 56) = ( 0.1923077 0.5000000 -0.0000000), wk = 0.0030395 k( 57) = ( 0.2051282 0.5000000 -0.0000000), wk = 0.0030395 k( 58) = ( 0.2179487 0.5000000 -0.0000000), wk = 0.0030395 k( 59) = ( 0.2307692 0.5000000 -0.0000000), wk = 0.0030395 k( 60) = ( 0.2435897 0.5000000 -0.0000000), wk = 0.0030395 k( 61) = ( 0.2564103 0.5000000 -0.0000000), wk = 0.0030395 k( 62) = ( 0.2692308 0.5000000 -0.0000000), wk = 0.0030395 k( 63) = ( 0.2820513 0.5000000 -0.0000000), wk = 0.0030395 k( 64) = ( 0.2948718 0.5000000 -0.0000000), wk = 0.0030395 k( 65) = ( 0.3076923 0.5000000 -0.0000000), wk = 0.0030395 k( 66) = ( 0.3205128 0.5000000 -0.0000000), wk = 0.0030395 k( 67) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0030395 k( 68) = ( 0.3461538 0.5000000 -0.0000000), wk = 0.0030395 k( 69) = ( 0.3589744 0.5000000 -0.0000000), wk = 0.0030395 k( 70) = ( 0.3717949 0.5000000 -0.0000000), wk = 0.0030395 k( 71) = ( 0.3846154 0.5000000 -0.0000000), wk = 0.0030395 k( 72) = ( 0.3974359 0.5000000 -0.0000000), wk = 0.0030395 k( 73) = ( 0.4102564 0.5000000 -0.0000000), wk = 0.0030395 k( 74) = ( 0.4230769 0.5000000 -0.0000000), wk = 0.0030395 k( 75) = ( 0.4358974 0.5000000 -0.0000000), wk = 0.0030395 k( 76) = ( 0.4487179 0.5000000 -0.0000000), wk = 0.0030395 k( 77) = ( 0.4615385 0.5000000 -0.0000000), wk = 0.0030395 k( 78) = ( 0.4743590 0.5000000 -0.0000000), wk = 0.0030395 k( 79) = ( 0.4871795 0.5000000 -0.0000000), wk = 0.0030395 k( 80) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030395 k( 81) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030395 k( 82) = ( 0.4909091 0.4909091 -0.0000000), wk = 0.0030395 k( 83) = ( 0.4818182 0.4818182 -0.0000000), wk = 0.0030395 k( 84) = ( 0.4727273 0.4727273 -0.0000000), wk = 0.0030395 k( 85) = ( 0.4636364 0.4636364 -0.0000000), wk = 0.0030395 k( 86) = ( 0.4545455 0.4545454 -0.0000000), wk = 0.0030395 k( 87) = ( 0.4454546 0.4454545 -0.0000000), wk = 0.0030395 k( 88) = ( 0.4363636 0.4363636 -0.0000000), wk = 0.0030395 k( 89) = ( 0.4272727 0.4272727 -0.0000000), wk = 0.0030395 k( 90) = ( 0.4181818 0.4181818 -0.0000000), wk = 0.0030395 k( 91) = ( 0.4090909 0.4090909 -0.0000000), wk = 0.0030395 k( 92) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0030395 k( 93) = ( 0.3909091 0.3909091 -0.0000000), wk = 0.0030395 k( 94) = ( 0.3818182 0.3818182 -0.0000000), wk = 0.0030395 k( 95) = ( 0.3727273 0.3727273 -0.0000000), wk = 0.0030395 k( 96) = ( 0.3636364 0.3636364 -0.0000000), wk = 0.0030395 k( 97) = ( 0.3545454 0.3545454 -0.0000000), wk = 0.0030395 k( 98) = ( 0.3454546 0.3454545 -0.0000000), wk = 0.0030395 k( 99) = ( 0.3363636 0.3363636 -0.0000000), wk = 0.0030395 k( 100) = ( 0.3272727 0.3272727 -0.0000000), wk = 0.0030395 k( 101) = ( 0.3181818 0.3181818 -0.0000000), wk = 0.0030395 k( 102) = ( 0.3090909 0.3090909 -0.0000000), wk = 0.0030395 k( 103) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0030395 k( 104) = ( 0.2909091 0.2909091 -0.0000000), wk = 0.0030395 k( 105) = ( 0.2818182 0.2818182 -0.0000000), wk = 0.0030395 k( 106) = ( 0.2727273 0.2727273 -0.0000000), wk = 0.0030395 k( 107) = ( 0.2636364 0.2636364 -0.0000000), wk = 0.0030395 k( 108) = ( 0.2545455 0.2545455 -0.0000000), wk = 0.0030395 k( 109) = ( 0.2454545 0.2454545 -0.0000000), wk = 0.0030395 k( 110) = ( 0.2363636 0.2363636 -0.0000000), wk = 0.0030395 k( 111) = ( 0.2272727 0.2272727 -0.0000000), wk = 0.0030395 k( 112) = ( 0.2181818 0.2181818 -0.0000000), wk = 0.0030395 k( 113) = ( 0.2090909 0.2090909 -0.0000000), wk = 0.0030395 k( 114) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0030395 k( 115) = ( 0.1909091 0.1909091 -0.0000000), wk = 0.0030395 k( 116) = ( 0.1818182 0.1818182 -0.0000000), wk = 0.0030395 k( 117) = ( 0.1727273 0.1727273 -0.0000000), wk = 0.0030395 k( 118) = ( 0.1636364 0.1636364 -0.0000000), wk = 0.0030395 k( 119) = ( 0.1545455 0.1545454 -0.0000000), wk = 0.0030395 k( 120) = ( 0.1454545 0.1454545 -0.0000000), wk = 0.0030395 k( 121) = ( 0.1363636 0.1363636 -0.0000000), wk = 0.0030395 k( 122) = ( 0.1272727 0.1272727 -0.0000000), wk = 0.0030395 k( 123) = ( 0.1181818 0.1181818 -0.0000000), wk = 0.0030395 k( 124) = ( 0.1090909 0.1090909 -0.0000000), wk = 0.0030395 k( 125) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0030395 k( 126) = ( 0.0909091 0.0909091 -0.0000000), wk = 0.0030395 k( 127) = ( 0.0818182 0.0818182 -0.0000000), wk = 0.0030395 k( 128) = ( 0.0727273 0.0727273 -0.0000000), wk = 0.0030395 k( 129) = ( 0.0636364 0.0636364 -0.0000000), wk = 0.0030395 k( 130) = ( 0.0545455 0.0545454 -0.0000000), wk = 0.0030395 k( 131) = ( 0.0454546 0.0454545 -0.0000000), wk = 0.0030395 k( 132) = ( 0.0363636 0.0363636 -0.0000000), wk = 0.0030395 k( 133) = ( 0.0272727 0.0272727 -0.0000000), wk = 0.0030395 k( 134) = ( 0.0181818 0.0181818 -0.0000000), wk = 0.0030395 k( 135) = ( 0.0090909 0.0090909 -0.0000000), wk = 0.0030395 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030395 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030395 k( 138) = ( 0.0000000 0.0000000 0.0126477), wk = 0.0030395 k( 139) = ( 0.0000000 0.0000000 0.0252955), wk = 0.0030395 k( 140) = ( 0.0000000 0.0000000 0.0379432), wk = 0.0030395 k( 141) = ( 0.0000000 0.0000000 0.0505909), wk = 0.0030395 k( 142) = ( 0.0000000 0.0000000 0.0632386), wk = 0.0030395 k( 143) = ( 0.0000000 0.0000000 0.0758864), wk = 0.0030395 k( 144) = ( 0.0000000 0.0000000 0.0885341), wk = 0.0030395 k( 145) = ( 0.0000000 0.0000000 0.1011818), wk = 0.0030395 k( 146) = ( 0.0000000 0.0000000 0.1138295), wk = 0.0030395 k( 147) = ( 0.0000000 0.0000000 0.1264773), wk = 0.0030395 k( 148) = ( 0.0000000 0.0000000 0.1391250), wk = 0.0030395 k( 149) = ( 0.0000000 0.0000000 0.1517727), wk = 0.0030395 k( 150) = ( 0.0000000 0.0000000 0.1644205), wk = 0.0030395 k( 151) = ( 0.0000000 0.0000000 0.1770682), wk = 0.0030395 k( 152) = ( 0.0000000 0.0000000 0.1897159), wk = 0.0030395 k( 153) = ( 0.0000000 0.0000000 0.2023636), wk = 0.0030395 k( 154) = ( 0.0000000 0.0000000 0.2150114), wk = 0.0030395 k( 155) = ( 0.0000000 0.0000000 0.2276591), wk = 0.0030395 k( 156) = ( 0.0000000 0.0000000 0.2276591), wk = 0.0030395 k( 157) = ( 0.0000000 0.0128205 0.2276591), wk = 0.0030395 k( 158) = ( 0.0000000 0.0256410 0.2276591), wk = 0.0030395 k( 159) = ( 0.0000000 0.0384615 0.2276591), wk = 0.0030395 k( 160) = ( 0.0000000 0.0512821 0.2276591), wk = 0.0030395 k( 161) = ( 0.0000000 0.0641026 0.2276591), wk = 0.0030395 k( 162) = ( 0.0000000 0.0769231 0.2276591), wk = 0.0030395 k( 163) = ( 0.0000000 0.0897436 0.2276591), wk = 0.0030395 k( 164) = ( 0.0000000 0.1025641 0.2276591), wk = 0.0030395 k( 165) = ( 0.0000000 0.1153846 0.2276591), wk = 0.0030395 k( 166) = ( 0.0000000 0.1282051 0.2276591), wk = 0.0030395 k( 167) = ( 0.0000000 0.1410256 0.2276591), wk = 0.0030395 k( 168) = ( 0.0000000 0.1538461 0.2276591), wk = 0.0030395 k( 169) = ( 0.0000000 0.1666667 0.2276591), wk = 0.0030395 k( 170) = ( 0.0000000 0.1794872 0.2276591), wk = 0.0030395 k( 171) = ( 0.0000000 0.1923077 0.2276591), wk = 0.0030395 k( 172) = ( 0.0000000 0.2051282 0.2276591), wk = 0.0030395 k( 173) = ( 0.0000000 0.2179487 0.2276591), wk = 0.0030395 k( 174) = ( 0.0000000 0.2307692 0.2276591), wk = 0.0030395 k( 175) = ( 0.0000000 0.2435897 0.2276591), wk = 0.0030395 k( 176) = ( 0.0000000 0.2564103 0.2276591), wk = 0.0030395 k( 177) = ( 0.0000000 0.2692308 0.2276591), wk = 0.0030395 k( 178) = ( 0.0000000 0.2820513 0.2276591), wk = 0.0030395 k( 179) = ( 0.0000000 0.2948718 0.2276591), wk = 0.0030395 k( 180) = ( 0.0000000 0.3076923 0.2276591), wk = 0.0030395 k( 181) = ( 0.0000000 0.3205128 0.2276591), wk = 0.0030395 k( 182) = ( 0.0000000 0.3333333 0.2276591), wk = 0.0030395 k( 183) = ( 0.0000000 0.3461538 0.2276591), wk = 0.0030395 k( 184) = ( 0.0000000 0.3589744 0.2276591), wk = 0.0030395 k( 185) = ( 0.0000000 0.3717949 0.2276591), wk = 0.0030395 k( 186) = ( 0.0000000 0.3846154 0.2276591), wk = 0.0030395 k( 187) = ( 0.0000000 0.3974359 0.2276591), wk = 0.0030395 k( 188) = ( 0.0000000 0.4102564 0.2276591), wk = 0.0030395 k( 189) = ( 0.0000000 0.4230769 0.2276591), wk = 0.0030395 k( 190) = ( 0.0000000 0.4358974 0.2276591), wk = 0.0030395 k( 191) = ( 0.0000000 0.4487179 0.2276591), wk = 0.0030395 k( 192) = ( 0.0000000 0.4615385 0.2276591), wk = 0.0030395 k( 193) = ( 0.0000000 0.4743590 0.2276591), wk = 0.0030395 k( 194) = ( 0.0000000 0.4871795 0.2276591), wk = 0.0030395 k( 195) = ( 0.0000000 0.5000000 0.2276591), wk = 0.0030395 k( 196) = ( 0.0000000 0.5000000 0.2276591), wk = 0.0030395 k( 197) = ( 0.0128205 0.5000000 0.2276591), wk = 0.0030395 k( 198) = ( 0.0256410 0.5000000 0.2276591), wk = 0.0030395 k( 199) = ( 0.0384615 0.5000000 0.2276591), wk = 0.0030395 k( 200) = ( 0.0512821 0.5000000 0.2276591), wk = 0.0030395 k( 201) = ( 0.0641026 0.5000000 0.2276591), wk = 0.0030395 k( 202) = ( 0.0769231 0.5000000 0.2276591), wk = 0.0030395 k( 203) = ( 0.0897436 0.5000000 0.2276591), wk = 0.0030395 k( 204) = ( 0.1025641 0.5000000 0.2276591), wk = 0.0030395 k( 205) = ( 0.1153846 0.5000000 0.2276591), wk = 0.0030395 k( 206) = ( 0.1282051 0.5000000 0.2276591), wk = 0.0030395 k( 207) = ( 0.1410256 0.5000000 0.2276591), wk = 0.0030395 k( 208) = ( 0.1538461 0.5000000 0.2276591), wk = 0.0030395 k( 209) = ( 0.1666667 0.5000000 0.2276591), wk = 0.0030395 k( 210) = ( 0.1794872 0.5000000 0.2276591), wk = 0.0030395 k( 211) = ( 0.1923077 0.5000000 0.2276591), wk = 0.0030395 k( 212) = ( 0.2051282 0.5000000 0.2276591), wk = 0.0030395 k( 213) = ( 0.2179487 0.5000000 0.2276591), wk = 0.0030395 k( 214) = ( 0.2307692 0.5000000 0.2276591), wk = 0.0030395 k( 215) = ( 0.2435897 0.5000000 0.2276591), wk = 0.0030395 k( 216) = ( 0.2564103 0.5000000 0.2276591), wk = 0.0030395 k( 217) = ( 0.2692308 0.5000000 0.2276591), wk = 0.0030395 k( 218) = ( 0.2820513 0.5000000 0.2276591), wk = 0.0030395 k( 219) = ( 0.2948718 0.5000000 0.2276591), wk = 0.0030395 k( 220) = ( 0.3076923 0.5000000 0.2276591), wk = 0.0030395 k( 221) = ( 0.3205128 0.5000000 0.2276591), wk = 0.0030395 k( 222) = ( 0.3333333 0.5000000 0.2276591), wk = 0.0030395 k( 223) = ( 0.3461538 0.5000000 0.2276591), wk = 0.0030395 k( 224) = ( 0.3589744 0.5000000 0.2276591), wk = 0.0030395 k( 225) = ( 0.3717949 0.5000000 0.2276591), wk = 0.0030395 k( 226) = ( 0.3846154 0.5000000 0.2276591), wk = 0.0030395 k( 227) = ( 0.3974359 0.5000000 0.2276591), wk = 0.0030395 k( 228) = ( 0.4102564 0.5000000 0.2276591), wk = 0.0030395 k( 229) = ( 0.4230769 0.5000000 0.2276591), wk = 0.0030395 k( 230) = ( 0.4358974 0.5000000 0.2276591), wk = 0.0030395 k( 231) = ( 0.4487179 0.5000000 0.2276591), wk = 0.0030395 k( 232) = ( 0.4615385 0.5000000 0.2276591), wk = 0.0030395 k( 233) = ( 0.4743590 0.5000000 0.2276591), wk = 0.0030395 k( 234) = ( 0.4871795 0.5000000 0.2276591), wk = 0.0030395 k( 235) = ( 0.5000000 0.5000000 0.2276591), wk = 0.0030395 k( 236) = ( 0.5000000 0.5000000 0.2276591), wk = 0.0030395 k( 237) = ( 0.4909091 0.4909091 0.2276591), wk = 0.0030395 k( 238) = ( 0.4818182 0.4818182 0.2276591), wk = 0.0030395 k( 239) = ( 0.4727273 0.4727273 0.2276591), wk = 0.0030395 k( 240) = ( 0.4636364 0.4636364 0.2276591), wk = 0.0030395 k( 241) = ( 0.4545455 0.4545454 0.2276591), wk = 0.0030395 k( 242) = ( 0.4454546 0.4454545 0.2276591), wk = 0.0030395 k( 243) = ( 0.4363636 0.4363636 0.2276591), wk = 0.0030395 k( 244) = ( 0.4272727 0.4272727 0.2276591), wk = 0.0030395 k( 245) = ( 0.4181818 0.4181818 0.2276591), wk = 0.0030395 k( 246) = ( 0.4090909 0.4090909 0.2276591), wk = 0.0030395 k( 247) = ( 0.4000000 0.4000000 0.2276591), wk = 0.0030395 k( 248) = ( 0.3909091 0.3909091 0.2276591), wk = 0.0030395 k( 249) = ( 0.3818182 0.3818182 0.2276591), wk = 0.0030395 k( 250) = ( 0.3727273 0.3727273 0.2276591), wk = 0.0030395 k( 251) = ( 0.3636364 0.3636364 0.2276591), wk = 0.0030395 k( 252) = ( 0.3545454 0.3545454 0.2276591), wk = 0.0030395 k( 253) = ( 0.3454546 0.3454545 0.2276591), wk = 0.0030395 k( 254) = ( 0.3363636 0.3363636 0.2276591), wk = 0.0030395 k( 255) = ( 0.3272727 0.3272727 0.2276591), wk = 0.0030395 k( 256) = ( 0.3181818 0.3181818 0.2276591), wk = 0.0030395 k( 257) = ( 0.3090909 0.3090909 0.2276591), wk = 0.0030395 k( 258) = ( 0.3000000 0.3000000 0.2276591), wk = 0.0030395 k( 259) = ( 0.2909091 0.2909091 0.2276591), wk = 0.0030395 k( 260) = ( 0.2818182 0.2818182 0.2276591), wk = 0.0030395 k( 261) = ( 0.2727273 0.2727273 0.2276591), wk = 0.0030395 k( 262) = ( 0.2636364 0.2636364 0.2276591), wk = 0.0030395 k( 263) = ( 0.2545455 0.2545455 0.2276591), wk = 0.0030395 k( 264) = ( 0.2454545 0.2454545 0.2276591), wk = 0.0030395 k( 265) = ( 0.2363636 0.2363636 0.2276591), wk = 0.0030395 k( 266) = ( 0.2272727 0.2272727 0.2276591), wk = 0.0030395 k( 267) = ( 0.2181818 0.2181818 0.2276591), wk = 0.0030395 k( 268) = ( 0.2090909 0.2090909 0.2276591), wk = 0.0030395 k( 269) = ( 0.2000000 0.2000000 0.2276591), wk = 0.0030395 k( 270) = ( 0.1909091 0.1909091 0.2276591), wk = 0.0030395 k( 271) = ( 0.1818182 0.1818182 0.2276591), wk = 0.0030395 k( 272) = ( 0.1727273 0.1727273 0.2276591), wk = 0.0030395 k( 273) = ( 0.1636364 0.1636364 0.2276591), wk = 0.0030395 k( 274) = ( 0.1545455 0.1545454 0.2276591), wk = 0.0030395 k( 275) = ( 0.1454545 0.1454545 0.2276591), wk = 0.0030395 k( 276) = ( 0.1363636 0.1363636 0.2276591), wk = 0.0030395 k( 277) = ( 0.1272727 0.1272727 0.2276591), wk = 0.0030395 k( 278) = ( 0.1181818 0.1181818 0.2276591), wk = 0.0030395 k( 279) = ( 0.1090909 0.1090909 0.2276591), wk = 0.0030395 k( 280) = ( 0.1000000 0.1000000 0.2276591), wk = 0.0030395 k( 281) = ( 0.0909091 0.0909091 0.2276591), wk = 0.0030395 k( 282) = ( 0.0818182 0.0818182 0.2276591), wk = 0.0030395 k( 283) = ( 0.0727273 0.0727273 0.2276591), wk = 0.0030395 k( 284) = ( 0.0636364 0.0636364 0.2276591), wk = 0.0030395 k( 285) = ( 0.0545455 0.0545454 0.2276591), wk = 0.0030395 k( 286) = ( 0.0454546 0.0454545 0.2276591), wk = 0.0030395 k( 287) = ( 0.0363636 0.0363636 0.2276591), wk = 0.0030395 k( 288) = ( 0.0272727 0.0272727 0.2276591), wk = 0.0030395 k( 289) = ( 0.0181818 0.0181818 0.2276591), wk = 0.0030395 k( 290) = ( 0.0090909 0.0090909 0.2276591), wk = 0.0030395 k( 291) = ( 0.0000000 0.0000000 0.2276591), wk = 0.0030395 k( 292) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030395 k( 293) = ( 0.0000000 0.5000000 0.0126477), wk = 0.0030395 k( 294) = ( 0.0000000 0.5000000 0.0252955), wk = 0.0030395 k( 295) = ( 0.0000000 0.5000000 0.0379432), wk = 0.0030395 k( 296) = ( 0.0000000 0.5000000 0.0505909), wk = 0.0030395 k( 297) = ( 0.0000000 0.5000000 0.0632386), wk = 0.0030395 k( 298) = ( 0.0000000 0.5000000 0.0758864), wk = 0.0030395 k( 299) = ( 0.0000000 0.5000000 0.0885341), wk = 0.0030395 k( 300) = ( 0.0000000 0.5000000 0.1011818), wk = 0.0030395 k( 301) = ( 0.0000000 0.5000000 0.1138295), wk = 0.0030395 k( 302) = ( 0.0000000 0.5000000 0.1264773), wk = 0.0030395 k( 303) = ( 0.0000000 0.5000000 0.1391250), wk = 0.0030395 k( 304) = ( 0.0000000 0.5000000 0.1517727), wk = 0.0030395 k( 305) = ( 0.0000000 0.5000000 0.1644205), wk = 0.0030395 k( 306) = ( 0.0000000 0.5000000 0.1770682), wk = 0.0030395 k( 307) = ( 0.0000000 0.5000000 0.1897159), wk = 0.0030395 k( 308) = ( 0.0000000 0.5000000 0.2023636), wk = 0.0030395 k( 309) = ( 0.0000000 0.5000000 0.2150114), wk = 0.0030395 k( 310) = ( 0.0000000 0.5000000 0.2276591), wk = 0.0030395 k( 311) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030395 k( 312) = ( 0.5000000 0.5000000 0.0126477), wk = 0.0030395 k( 313) = ( 0.5000000 0.5000000 0.0252955), wk = 0.0030395 k( 314) = ( 0.5000000 0.5000000 0.0379432), wk = 0.0030395 k( 315) = ( 0.5000000 0.5000000 0.0505909), wk = 0.0030395 k( 316) = ( 0.5000000 0.5000000 0.0632386), wk = 0.0030395 k( 317) = ( 0.5000000 0.5000000 0.0758864), wk = 0.0030395 k( 318) = ( 0.5000000 0.5000000 0.0885341), wk = 0.0030395 k( 319) = ( 0.5000000 0.5000000 0.1011818), wk = 0.0030395 k( 320) = ( 0.5000000 0.5000000 0.1138295), wk = 0.0030395 k( 321) = ( 0.5000000 0.5000000 0.1264773), wk = 0.0030395 k( 322) = ( 0.5000000 0.5000000 0.1391250), wk = 0.0030395 k( 323) = ( 0.5000000 0.5000000 0.1517727), wk = 0.0030395 k( 324) = ( 0.5000000 0.5000000 0.1644205), wk = 0.0030395 k( 325) = ( 0.5000000 0.5000000 0.1770682), wk = 0.0030395 k( 326) = ( 0.5000000 0.5000000 0.1897159), wk = 0.0030395 k( 327) = ( 0.5000000 0.5000000 0.2023636), wk = 0.0030395 k( 328) = ( 0.5000000 0.5000000 0.2150114), wk = 0.0030395 k( 329) = ( 0.5000000 0.5000000 0.2276591), wk = 0.0030395 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030395 k( 2) = ( 0.0000000 0.0128205 0.0000000), wk = 0.0030395 k( 3) = ( 0.0000000 0.0256410 0.0000000), wk = 0.0030395 k( 4) = ( 0.0000000 0.0384615 -0.0000000), wk = 0.0030395 k( 5) = ( 0.0000000 0.0512821 -0.0000000), wk = 0.0030395 k( 6) = ( 0.0000000 0.0641026 -0.0000000), wk = 0.0030395 k( 7) = ( 0.0000000 0.0769231 -0.0000000), wk = 0.0030395 k( 8) = ( 0.0000000 0.0897436 0.0000000), wk = 0.0030395 k( 9) = ( 0.0000000 0.1025641 -0.0000000), wk = 0.0030395 k( 10) = ( 0.0000000 0.1153846 -0.0000000), wk = 0.0030395 k( 11) = ( 0.0000000 0.1282051 -0.0000000), wk = 0.0030395 k( 12) = ( 0.0000000 0.1410256 0.0000000), wk = 0.0030395 k( 13) = ( 0.0000000 0.1538461 0.0000000), wk = 0.0030395 k( 14) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0030395 k( 15) = ( 0.0000000 0.1794872 0.0000000), wk = 0.0030395 k( 16) = ( 0.0000000 0.1923077 0.0000000), wk = 0.0030395 k( 17) = ( 0.0000000 0.2051282 -0.0000000), wk = 0.0030395 k( 18) = ( 0.0000000 0.2179487 0.0000000), wk = 0.0030395 k( 19) = ( 0.0000000 0.2307692 0.0000000), wk = 0.0030395 k( 20) = ( 0.0000000 0.2435897 0.0000000), wk = 0.0030395 k( 21) = ( 0.0000000 0.2564103 -0.0000000), wk = 0.0030395 k( 22) = ( 0.0000000 0.2692308 -0.0000000), wk = 0.0030395 k( 23) = ( 0.0000000 0.2820513 0.0000000), wk = 0.0030395 k( 24) = ( 0.0000000 0.2948718 -0.0000000), wk = 0.0030395 k( 25) = ( 0.0000000 0.3076923 0.0000000), wk = 0.0030395 k( 26) = ( 0.0000000 0.3205128 -0.0000000), wk = 0.0030395 k( 27) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0030395 k( 28) = ( 0.0000000 0.3461538 -0.0000000), wk = 0.0030395 k( 29) = ( 0.0000000 0.3589744 0.0000000), wk = 0.0030395 k( 30) = ( 0.0000000 0.3717949 0.0000000), wk = 0.0030395 k( 31) = ( 0.0000000 0.3846154 0.0000000), wk = 0.0030395 k( 32) = ( 0.0000000 0.3974359 -0.0000000), wk = 0.0030395 k( 33) = ( 0.0000000 0.4102564 0.0000000), wk = 0.0030395 k( 34) = ( 0.0000000 0.4230769 -0.0000000), wk = 0.0030395 k( 35) = ( 0.0000000 0.4358974 0.0000000), wk = 0.0030395 k( 36) = ( 0.0000000 0.4487179 -0.0000000), wk = 0.0030395 k( 37) = ( 0.0000000 0.4615385 0.0000000), wk = 0.0030395 k( 38) = ( 0.0000000 0.4743590 0.0000000), wk = 0.0030395 k( 39) = ( 0.0000000 0.4871795 -0.0000000), wk = 0.0030395 k( 40) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030395 k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030395 k( 42) = ( 0.0128205 0.5000000 0.0000000), wk = 0.0030395 k( 43) = ( 0.0256410 0.5000000 -0.0000000), wk = 0.0030395 k( 44) = ( 0.0384615 0.5000000 0.0000000), wk = 0.0030395 k( 45) = ( 0.0512821 0.5000000 -0.0000000), wk = 0.0030395 k( 46) = ( 0.0641026 0.5000000 -0.0000000), wk = 0.0030395 k( 47) = ( 0.0769231 0.5000000 0.0000000), wk = 0.0030395 k( 48) = ( 0.0897436 0.5000000 -0.0000000), wk = 0.0030395 k( 49) = ( 0.1025641 0.5000000 0.0000000), wk = 0.0030395 k( 50) = ( 0.1153846 0.5000000 0.0000000), wk = 0.0030395 k( 51) = ( 0.1282051 0.5000000 0.0000000), wk = 0.0030395 k( 52) = ( 0.1410256 0.5000000 0.0000000), wk = 0.0030395 k( 53) = ( 0.1538461 0.5000000 -0.0000000), wk = 0.0030395 k( 54) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0030395 k( 55) = ( 0.1794872 0.5000000 0.0000000), wk = 0.0030395 k( 56) = ( 0.1923077 0.5000000 -0.0000000), wk = 0.0030395 k( 57) = ( 0.2051282 0.5000000 0.0000000), wk = 0.0030395 k( 58) = ( 0.2179487 0.5000000 0.0000000), wk = 0.0030395 k( 59) = ( 0.2307692 0.5000000 0.0000000), wk = 0.0030395 k( 60) = ( 0.2435897 0.5000000 0.0000000), wk = 0.0030395 k( 61) = ( 0.2564103 0.5000000 0.0000000), wk = 0.0030395 k( 62) = ( 0.2692308 0.5000000 0.0000000), wk = 0.0030395 k( 63) = ( 0.2820513 0.5000000 0.0000000), wk = 0.0030395 k( 64) = ( 0.2948718 0.5000000 -0.0000000), wk = 0.0030395 k( 65) = ( 0.3076923 0.5000000 -0.0000000), wk = 0.0030395 k( 66) = ( 0.3205128 0.5000000 0.0000000), wk = 0.0030395 k( 67) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0030395 k( 68) = ( 0.3461538 0.5000000 0.0000000), wk = 0.0030395 k( 69) = ( 0.3589744 0.5000000 0.0000000), wk = 0.0030395 k( 70) = ( 0.3717949 0.5000000 -0.0000000), wk = 0.0030395 k( 71) = ( 0.3846154 0.5000000 0.0000000), wk = 0.0030395 k( 72) = ( 0.3974359 0.5000000 -0.0000000), wk = 0.0030395 k( 73) = ( 0.4102564 0.5000000 -0.0000000), wk = 0.0030395 k( 74) = ( 0.4230769 0.5000000 0.0000000), wk = 0.0030395 k( 75) = ( 0.4358974 0.5000000 -0.0000000), wk = 0.0030395 k( 76) = ( 0.4487179 0.5000000 0.0000000), wk = 0.0030395 k( 77) = ( 0.4615385 0.5000000 0.0000000), wk = 0.0030395 k( 78) = ( 0.4743590 0.5000000 -0.0000000), wk = 0.0030395 k( 79) = ( 0.4871795 0.5000000 -0.0000000), wk = 0.0030395 k( 80) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030395 k( 81) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030395 k( 82) = ( 0.4909091 0.4909091 -0.0000000), wk = 0.0030395 k( 83) = ( 0.4818182 0.4818182 0.0000000), wk = 0.0030395 k( 84) = ( 0.4727273 0.4727273 -0.0000000), wk = 0.0030395 k( 85) = ( 0.4636364 0.4636364 0.0000000), wk = 0.0030395 k( 86) = ( 0.4545455 0.4545455 -0.0000000), wk = 0.0030395 k( 87) = ( 0.4454546 0.4454546 -0.0000000), wk = 0.0030395 k( 88) = ( 0.4363636 0.4363636 -0.0000000), wk = 0.0030395 k( 89) = ( 0.4272727 0.4272727 -0.0000000), wk = 0.0030395 k( 90) = ( 0.4181818 0.4181818 -0.0000000), wk = 0.0030395 k( 91) = ( 0.4090909 0.4090909 0.0000000), wk = 0.0030395 k( 92) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0030395 k( 93) = ( 0.3909091 0.3909091 0.0000000), wk = 0.0030395 k( 94) = ( 0.3818182 0.3818182 -0.0000000), wk = 0.0030395 k( 95) = ( 0.3727273 0.3727273 -0.0000000), wk = 0.0030395 k( 96) = ( 0.3636364 0.3636364 -0.0000000), wk = 0.0030395 k( 97) = ( 0.3545454 0.3545454 -0.0000000), wk = 0.0030395 k( 98) = ( 0.3454546 0.3454546 -0.0000000), wk = 0.0030395 k( 99) = ( 0.3363636 0.3363636 -0.0000000), wk = 0.0030395 k( 100) = ( 0.3272727 0.3272727 -0.0000000), wk = 0.0030395 k( 101) = ( 0.3181818 0.3181818 -0.0000000), wk = 0.0030395 k( 102) = ( 0.3090909 0.3090909 -0.0000000), wk = 0.0030395 k( 103) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0030395 k( 104) = ( 0.2909091 0.2909091 -0.0000000), wk = 0.0030395 k( 105) = ( 0.2818182 0.2818182 -0.0000000), wk = 0.0030395 k( 106) = ( 0.2727273 0.2727273 0.0000000), wk = 0.0030395 k( 107) = ( 0.2636364 0.2636364 0.0000000), wk = 0.0030395 k( 108) = ( 0.2545455 0.2545455 0.0000000), wk = 0.0030395 k( 109) = ( 0.2454545 0.2454545 0.0000000), wk = 0.0030395 k( 110) = ( 0.2363636 0.2363636 -0.0000000), wk = 0.0030395 k( 111) = ( 0.2272727 0.2272727 -0.0000000), wk = 0.0030395 k( 112) = ( 0.2181818 0.2181818 -0.0000000), wk = 0.0030395 k( 113) = ( 0.2090909 0.2090909 -0.0000000), wk = 0.0030395 k( 114) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0030395 k( 115) = ( 0.1909091 0.1909091 -0.0000000), wk = 0.0030395 k( 116) = ( 0.1818182 0.1818182 -0.0000000), wk = 0.0030395 k( 117) = ( 0.1727273 0.1727273 -0.0000000), wk = 0.0030395 k( 118) = ( 0.1636364 0.1636364 -0.0000000), wk = 0.0030395 k( 119) = ( 0.1545455 0.1545455 0.0000000), wk = 0.0030395 k( 120) = ( 0.1454545 0.1454545 -0.0000000), wk = 0.0030395 k( 121) = ( 0.1363636 0.1363636 -0.0000000), wk = 0.0030395 k( 122) = ( 0.1272727 0.1272727 -0.0000000), wk = 0.0030395 k( 123) = ( 0.1181818 0.1181818 -0.0000000), wk = 0.0030395 k( 124) = ( 0.1090909 0.1090909 -0.0000000), wk = 0.0030395 k( 125) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0030395 k( 126) = ( 0.0909091 0.0909091 -0.0000000), wk = 0.0030395 k( 127) = ( 0.0818182 0.0818182 -0.0000000), wk = 0.0030395 k( 128) = ( 0.0727273 0.0727273 0.0000000), wk = 0.0030395 k( 129) = ( 0.0636364 0.0636364 -0.0000000), wk = 0.0030395 k( 130) = ( 0.0545455 0.0545455 -0.0000000), wk = 0.0030395 k( 131) = ( 0.0454546 0.0454546 -0.0000000), wk = 0.0030395 k( 132) = ( 0.0363636 0.0363636 -0.0000000), wk = 0.0030395 k( 133) = ( 0.0272727 0.0272727 -0.0000000), wk = 0.0030395 k( 134) = ( 0.0181818 0.0181818 -0.0000000), wk = 0.0030395 k( 135) = ( 0.0090909 0.0090909 -0.0000000), wk = 0.0030395 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030395 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030395 k( 138) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0030395 k( 139) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0030395 k( 140) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0030395 k( 141) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0030395 k( 142) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0030395 k( 143) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0030395 k( 144) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0030395 k( 145) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0030395 k( 146) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0030395 k( 147) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0030395 k( 148) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0030395 k( 149) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0030395 k( 150) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0030395 k( 151) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0030395 k( 152) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0030395 k( 153) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0030395 k( 154) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0030395 k( 155) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030395 k( 156) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030395 k( 157) = ( 0.0000000 0.0128205 0.5000000), wk = 0.0030395 k( 158) = ( 0.0000000 0.0256410 0.5000000), wk = 0.0030395 k( 159) = ( 0.0000000 0.0384615 0.5000000), wk = 0.0030395 k( 160) = ( 0.0000000 0.0512821 0.5000000), wk = 0.0030395 k( 161) = ( 0.0000000 0.0641026 0.5000000), wk = 0.0030395 k( 162) = ( 0.0000000 0.0769231 0.5000000), wk = 0.0030395 k( 163) = ( 0.0000000 0.0897436 0.5000000), wk = 0.0030395 k( 164) = ( 0.0000000 0.1025641 0.5000000), wk = 0.0030395 k( 165) = ( 0.0000000 0.1153846 0.5000000), wk = 0.0030395 k( 166) = ( 0.0000000 0.1282051 0.5000000), wk = 0.0030395 k( 167) = ( 0.0000000 0.1410256 0.5000000), wk = 0.0030395 k( 168) = ( 0.0000000 0.1538461 0.5000000), wk = 0.0030395 k( 169) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0030395 k( 170) = ( 0.0000000 0.1794872 0.5000000), wk = 0.0030395 k( 171) = ( 0.0000000 0.1923077 0.5000000), wk = 0.0030395 k( 172) = ( 0.0000000 0.2051282 0.5000000), wk = 0.0030395 k( 173) = ( 0.0000000 0.2179487 0.5000000), wk = 0.0030395 k( 174) = ( 0.0000000 0.2307692 0.5000000), wk = 0.0030395 k( 175) = ( 0.0000000 0.2435897 0.5000000), wk = 0.0030395 k( 176) = ( 0.0000000 0.2564103 0.5000000), wk = 0.0030395 k( 177) = ( 0.0000000 0.2692308 0.5000000), wk = 0.0030395 k( 178) = ( 0.0000000 0.2820513 0.5000000), wk = 0.0030395 k( 179) = ( 0.0000000 0.2948718 0.5000000), wk = 0.0030395 k( 180) = ( 0.0000000 0.3076923 0.5000000), wk = 0.0030395 k( 181) = ( 0.0000000 0.3205128 0.5000000), wk = 0.0030395 k( 182) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0030395 k( 183) = ( 0.0000000 0.3461538 0.5000000), wk = 0.0030395 k( 184) = ( 0.0000000 0.3589744 0.5000000), wk = 0.0030395 k( 185) = ( 0.0000000 0.3717949 0.5000000), wk = 0.0030395 k( 186) = ( 0.0000000 0.3846154 0.5000000), wk = 0.0030395 k( 187) = ( 0.0000000 0.3974359 0.5000000), wk = 0.0030395 k( 188) = ( 0.0000000 0.4102564 0.5000000), wk = 0.0030395 k( 189) = ( 0.0000000 0.4230769 0.5000000), wk = 0.0030395 k( 190) = ( 0.0000000 0.4358974 0.5000000), wk = 0.0030395 k( 191) = ( 0.0000000 0.4487179 0.5000000), wk = 0.0030395 k( 192) = ( 0.0000000 0.4615385 0.5000000), wk = 0.0030395 k( 193) = ( 0.0000000 0.4743590 0.5000000), wk = 0.0030395 k( 194) = ( 0.0000000 0.4871795 0.5000000), wk = 0.0030395 k( 195) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0030395 k( 196) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0030395 k( 197) = ( 0.0128205 0.5000000 0.5000000), wk = 0.0030395 k( 198) = ( 0.0256410 0.5000000 0.5000000), wk = 0.0030395 k( 199) = ( 0.0384615 0.5000000 0.5000000), wk = 0.0030395 k( 200) = ( 0.0512821 0.5000000 0.5000000), wk = 0.0030395 k( 201) = ( 0.0641026 0.5000000 0.5000000), wk = 0.0030395 k( 202) = ( 0.0769231 0.5000000 0.5000000), wk = 0.0030395 k( 203) = ( 0.0897436 0.5000000 0.5000000), wk = 0.0030395 k( 204) = ( 0.1025641 0.5000000 0.5000000), wk = 0.0030395 k( 205) = ( 0.1153846 0.5000000 0.5000000), wk = 0.0030395 k( 206) = ( 0.1282051 0.5000000 0.5000000), wk = 0.0030395 k( 207) = ( 0.1410256 0.5000000 0.5000000), wk = 0.0030395 k( 208) = ( 0.1538461 0.5000000 0.5000000), wk = 0.0030395 k( 209) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0030395 k( 210) = ( 0.1794872 0.5000000 0.5000000), wk = 0.0030395 k( 211) = ( 0.1923077 0.5000000 0.5000000), wk = 0.0030395 k( 212) = ( 0.2051282 0.5000000 0.5000000), wk = 0.0030395 k( 213) = ( 0.2179487 0.5000000 0.5000000), wk = 0.0030395 k( 214) = ( 0.2307692 0.5000000 0.5000000), wk = 0.0030395 k( 215) = ( 0.2435897 0.5000000 0.5000000), wk = 0.0030395 k( 216) = ( 0.2564103 0.5000000 0.5000000), wk = 0.0030395 k( 217) = ( 0.2692308 0.5000000 0.5000000), wk = 0.0030395 k( 218) = ( 0.2820513 0.5000000 0.5000000), wk = 0.0030395 k( 219) = ( 0.2948718 0.5000000 0.5000000), wk = 0.0030395 k( 220) = ( 0.3076923 0.5000000 0.5000000), wk = 0.0030395 k( 221) = ( 0.3205128 0.5000000 0.5000000), wk = 0.0030395 k( 222) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0030395 k( 223) = ( 0.3461538 0.5000000 0.5000000), wk = 0.0030395 k( 224) = ( 0.3589744 0.5000000 0.5000000), wk = 0.0030395 k( 225) = ( 0.3717949 0.5000000 0.5000000), wk = 0.0030395 k( 226) = ( 0.3846154 0.5000000 0.5000000), wk = 0.0030395 k( 227) = ( 0.3974359 0.5000000 0.5000000), wk = 0.0030395 k( 228) = ( 0.4102564 0.5000000 0.5000000), wk = 0.0030395 k( 229) = ( 0.4230769 0.5000000 0.5000000), wk = 0.0030395 k( 230) = ( 0.4358974 0.5000000 0.5000000), wk = 0.0030395 k( 231) = ( 0.4487179 0.5000000 0.5000000), wk = 0.0030395 k( 232) = ( 0.4615385 0.5000000 0.5000000), wk = 0.0030395 k( 233) = ( 0.4743590 0.5000000 0.5000000), wk = 0.0030395 k( 234) = ( 0.4871795 0.5000000 0.5000000), wk = 0.0030395 k( 235) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030395 k( 236) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030395 k( 237) = ( 0.4909091 0.4909091 0.5000000), wk = 0.0030395 k( 238) = ( 0.4818182 0.4818182 0.5000000), wk = 0.0030395 k( 239) = ( 0.4727273 0.4727273 0.5000000), wk = 0.0030395 k( 240) = ( 0.4636364 0.4636364 0.5000000), wk = 0.0030395 k( 241) = ( 0.4545455 0.4545455 0.5000000), wk = 0.0030395 k( 242) = ( 0.4454546 0.4454546 0.5000000), wk = 0.0030395 k( 243) = ( 0.4363636 0.4363636 0.5000000), wk = 0.0030395 k( 244) = ( 0.4272727 0.4272727 0.5000000), wk = 0.0030395 k( 245) = ( 0.4181818 0.4181818 0.5000000), wk = 0.0030395 k( 246) = ( 0.4090909 0.4090909 0.5000000), wk = 0.0030395 k( 247) = ( 0.4000000 0.4000000 0.5000000), wk = 0.0030395 k( 248) = ( 0.3909091 0.3909091 0.5000000), wk = 0.0030395 k( 249) = ( 0.3818182 0.3818182 0.5000000), wk = 0.0030395 k( 250) = ( 0.3727273 0.3727273 0.5000000), wk = 0.0030395 k( 251) = ( 0.3636364 0.3636364 0.5000000), wk = 0.0030395 k( 252) = ( 0.3545454 0.3545454 0.5000000), wk = 0.0030395 k( 253) = ( 0.3454546 0.3454546 0.5000000), wk = 0.0030395 k( 254) = ( 0.3363636 0.3363636 0.5000000), wk = 0.0030395 k( 255) = ( 0.3272727 0.3272727 0.5000000), wk = 0.0030395 k( 256) = ( 0.3181818 0.3181818 0.5000000), wk = 0.0030395 k( 257) = ( 0.3090909 0.3090909 0.5000000), wk = 0.0030395 k( 258) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0030395 k( 259) = ( 0.2909091 0.2909091 0.5000000), wk = 0.0030395 k( 260) = ( 0.2818182 0.2818182 0.5000000), wk = 0.0030395 k( 261) = ( 0.2727273 0.2727273 0.5000000), wk = 0.0030395 k( 262) = ( 0.2636364 0.2636364 0.5000000), wk = 0.0030395 k( 263) = ( 0.2545455 0.2545455 0.5000000), wk = 0.0030395 k( 264) = ( 0.2454545 0.2454545 0.5000000), wk = 0.0030395 k( 265) = ( 0.2363636 0.2363636 0.5000000), wk = 0.0030395 k( 266) = ( 0.2272727 0.2272727 0.5000000), wk = 0.0030395 k( 267) = ( 0.2181818 0.2181818 0.5000000), wk = 0.0030395 k( 268) = ( 0.2090909 0.2090909 0.5000000), wk = 0.0030395 k( 269) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0030395 k( 270) = ( 0.1909091 0.1909091 0.5000000), wk = 0.0030395 k( 271) = ( 0.1818182 0.1818182 0.5000000), wk = 0.0030395 k( 272) = ( 0.1727273 0.1727273 0.5000000), wk = 0.0030395 k( 273) = ( 0.1636364 0.1636364 0.5000000), wk = 0.0030395 k( 274) = ( 0.1545455 0.1545455 0.5000000), wk = 0.0030395 k( 275) = ( 0.1454545 0.1454545 0.5000000), wk = 0.0030395 k( 276) = ( 0.1363636 0.1363636 0.5000000), wk = 0.0030395 k( 277) = ( 0.1272727 0.1272727 0.5000000), wk = 0.0030395 k( 278) = ( 0.1181818 0.1181818 0.5000000), wk = 0.0030395 k( 279) = ( 0.1090909 0.1090909 0.5000000), wk = 0.0030395 k( 280) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0030395 k( 281) = ( 0.0909091 0.0909091 0.5000000), wk = 0.0030395 k( 282) = ( 0.0818182 0.0818182 0.5000000), wk = 0.0030395 k( 283) = ( 0.0727273 0.0727273 0.5000000), wk = 0.0030395 k( 284) = ( 0.0636364 0.0636364 0.5000000), wk = 0.0030395 k( 285) = ( 0.0545455 0.0545455 0.5000000), wk = 0.0030395 k( 286) = ( 0.0454546 0.0454546 0.5000000), wk = 0.0030395 k( 287) = ( 0.0363636 0.0363636 0.5000000), wk = 0.0030395 k( 288) = ( 0.0272727 0.0272727 0.5000000), wk = 0.0030395 k( 289) = ( 0.0181818 0.0181818 0.5000000), wk = 0.0030395 k( 290) = ( 0.0090909 0.0090909 0.5000000), wk = 0.0030395 k( 291) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030395 k( 292) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030395 k( 293) = ( 0.0000000 0.5000000 0.0277778), wk = 0.0030395 k( 294) = ( 0.0000000 0.5000000 0.0555556), wk = 0.0030395 k( 295) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0030395 k( 296) = ( 0.0000000 0.5000000 0.1111111), wk = 0.0030395 k( 297) = ( 0.0000000 0.5000000 0.1388889), wk = 0.0030395 k( 298) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0030395 k( 299) = ( 0.0000000 0.5000000 0.1944444), wk = 0.0030395 k( 300) = ( 0.0000000 0.5000000 0.2222222), wk = 0.0030395 k( 301) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0030395 k( 302) = ( 0.0000000 0.5000000 0.2777778), wk = 0.0030395 k( 303) = ( 0.0000000 0.5000000 0.3055556), wk = 0.0030395 k( 304) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0030395 k( 305) = ( 0.0000000 0.5000000 0.3611111), wk = 0.0030395 k( 306) = ( 0.0000000 0.5000000 0.3888889), wk = 0.0030395 k( 307) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0030395 k( 308) = ( 0.0000000 0.5000000 0.4444444), wk = 0.0030395 k( 309) = ( 0.0000000 0.5000000 0.4722222), wk = 0.0030395 k( 310) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0030395 k( 311) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030395 k( 312) = ( 0.5000000 0.5000000 0.0277778), wk = 0.0030395 k( 313) = ( 0.5000000 0.5000000 0.0555556), wk = 0.0030395 k( 314) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0030395 k( 315) = ( 0.5000000 0.5000000 0.1111111), wk = 0.0030395 k( 316) = ( 0.5000000 0.5000000 0.1388889), wk = 0.0030395 k( 317) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0030395 k( 318) = ( 0.5000000 0.5000000 0.1944444), wk = 0.0030395 k( 319) = ( 0.5000000 0.5000000 0.2222222), wk = 0.0030395 k( 320) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0030395 k( 321) = ( 0.5000000 0.5000000 0.2777778), wk = 0.0030395 k( 322) = ( 0.5000000 0.5000000 0.3055556), wk = 0.0030395 k( 323) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0030395 k( 324) = ( 0.5000000 0.5000000 0.3611111), wk = 0.0030395 k( 325) = ( 0.5000000 0.5000000 0.3888889), wk = 0.0030395 k( 326) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0030395 k( 327) = ( 0.5000000 0.5000000 0.4444444), wk = 0.0030395 k( 328) = ( 0.5000000 0.5000000 0.4722222), wk = 0.0030395 k( 329) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030395 Dense grid: 76545 G-vectors FFT dimensions: ( 45, 45, 90) Smooth grid: 42181 G-vectors FFT dimensions: ( 36, 36, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.12 Mb ( 174, 44) NL pseudopotentials 0.19 Mb ( 87, 140) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1064) G-vector shells 0.00 Mb ( 541) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.47 Mb ( 174, 176) Each subspace H/S matrix 0.01 Mb ( 29, 29) Each matrix 0.19 Mb ( 140, 2, 44) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./CaHI.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.9 secs Computing kpt #: 2 total cpu time spent up to now is 7.0 secs Computing kpt #: 3 total cpu time spent up to now is 8.9 secs Computing kpt #: 4 total cpu time spent up to now is 11.4 secs Computing kpt #: 5 total cpu time spent up to now is 13.6 secs Computing kpt #: 6 total cpu time spent up to now is 15.4 secs Computing kpt #: 7 total cpu time spent up to now is 17.2 secs Computing kpt #: 8 total cpu time spent up to now is 18.8 secs Computing kpt #: 9 total cpu time spent up to now is 20.7 secs Computing kpt #: 10 total cpu time spent up to now is 22.6 secs Computing kpt #: 11 total cpu time spent up to now is 24.5 secs Computing kpt #: 12 total cpu time spent up to now is 26.6 secs Computing kpt #: 13 total cpu time spent up to now is 28.4 secs Computing kpt #: 14 total cpu time spent up to now is 30.1 secs Computing kpt #: 15 total cpu time spent up to now is 31.9 secs Computing kpt #: 16 total cpu time spent up to now is 33.4 secs Computing kpt #: 17 total cpu time spent up to now is 35.2 secs Computing kpt #: 18 total cpu time spent up to now is 36.9 secs Computing kpt #: 19 total cpu time spent up to now is 38.5 secs Computing kpt #: 20 total cpu time spent up to now is 40.1 secs Computing kpt #: 21 total cpu time spent up to now is 42.1 secs Computing kpt #: 22 total cpu time spent up to now is 43.9 secs Computing kpt #: 23 total cpu time spent up to now is 45.3 secs Computing kpt #: 24 total cpu time spent up to now is 47.0 secs Computing kpt #: 25 total cpu time spent up to now is 48.7 secs Computing kpt #: 26 total cpu time spent up to now is 50.3 secs Computing kpt #: 27 total cpu time spent up to now is 52.1 secs Computing kpt #: 28 total cpu time spent up to now is 53.9 secs Computing kpt #: 29 total cpu time spent up to now is 55.6 secs Computing kpt #: 30 total cpu time spent up to now is 57.3 secs Computing kpt #: 31 total cpu time spent up to now is 59.0 secs Computing kpt #: 32 total cpu time spent up to now is 60.5 secs Computing kpt #: 33 total cpu time spent up to now is 62.4 secs Computing kpt #: 34 total cpu time spent up to now is 64.3 secs Computing kpt #: 35 total cpu time spent up to now is 66.9 secs Computing kpt #: 36 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 70.2 secs Computing kpt #: 37 total cpu time spent up to now is 72.8 secs Computing kpt #: 38 total cpu time spent up to now is 75.2 secs Computing kpt #: 39 total cpu time spent up to now is 77.7 secs Computing kpt #: 40 total cpu time spent up to now is 80.3 secs Computing kpt #: 41 total cpu time spent up to now is 82.9 secs Computing kpt #: 42 total cpu time spent up to now is 85.3 secs Computing kpt #: 43 total cpu time spent up to now is 87.5 secs Computing kpt #: 44 total cpu time spent up to now is 89.2 secs Computing kpt #: 45 total cpu time spent up to now is 91.0 secs Computing kpt #: 46 total cpu time spent up to now is 93.0 secs Computing kpt #: 47 total cpu time spent up to now is 95.0 secs Computing kpt #: 48 total cpu time spent up to now is 97.0 secs Computing kpt #: 49 total cpu time spent up to now is 99.0 secs Computing kpt #: 50 total cpu time spent up to now is 100.8 secs Computing kpt #: 51 total cpu time spent up to now is 102.7 secs Computing kpt #: 52 total cpu time spent up to now is 104.3 secs Computing kpt #: 53 total cpu time spent up to now is 105.8 secs Computing kpt #: 54 total cpu time spent up to now is 107.5 secs Computing kpt #: 55 total cpu time spent up to now is 109.7 secs Computing kpt #: 56 total cpu time spent up to now is 111.4 secs Computing kpt #: 57 total cpu time spent up to now is 113.2 secs Computing kpt #: 58 total cpu time spent up to now is 115.0 secs Computing kpt #: 59 total cpu time spent up to now is 117.2 secs Computing kpt #: 60 total cpu time spent up to now is 119.4 secs Computing kpt #: 61 total cpu time spent up to now is 121.7 secs Computing kpt #: 62 total cpu time spent up to now is 124.3 secs Computing kpt #: 63 total cpu time spent up to now is 126.5 secs Computing kpt #: 64 total cpu time spent up to now is 128.6 secs Computing kpt #: 65 total cpu time spent up to now is 130.5 secs Computing kpt #: 66 total cpu time spent up to now is 132.6 secs Computing kpt #: 67 total cpu time spent up to now is 134.3 secs Computing kpt #: 68 total cpu time spent up to now is 136.5 secs Computing kpt #: 69 total cpu time spent up to now is 138.7 secs Computing kpt #: 70 total cpu time spent up to now is 140.8 secs Computing kpt #: 71 total cpu time spent up to now is 142.9 secs Computing kpt #: 72 total cpu time spent up to now is 144.9 secs Computing kpt #: 73 total cpu time spent up to now is 146.5 secs Computing kpt #: 74 total cpu time spent up to now is 148.3 secs Computing kpt #: 75 total cpu time spent up to now is 150.2 secs Computing kpt #: 76 total cpu time spent up to now is 152.0 secs Computing kpt #: 77 total cpu time spent up to now is 153.8 secs Computing kpt #: 78 total cpu time spent up to now is 155.4 secs Computing kpt #: 79 total cpu time spent up to now is 157.3 secs Computing kpt #: 80 total cpu time spent up to now is 158.9 secs Computing kpt #: 81 total cpu time spent up to now is 160.6 secs Computing kpt #: 82 total cpu time spent up to now is 162.2 secs Computing kpt #: 83 total cpu time spent up to now is 163.8 secs Computing kpt #: 84 total cpu time spent up to now is 165.6 secs Computing kpt #: 85 total cpu time spent up to now is 167.1 secs Computing kpt #: 86 total cpu time spent up to now is 168.8 secs Computing kpt #: 87 total cpu time spent up to now is 170.6 secs Computing kpt #: 88 total cpu time spent up to now is 172.4 secs Computing kpt #: 89 total cpu time spent up to now is 174.0 secs Computing kpt #: 90 total cpu time spent up to now is 175.6 secs Computing kpt #: 91 total cpu time spent up to now is 177.5 secs Computing kpt #: 92 total cpu time spent up to now is 179.8 secs Computing kpt #: 93 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 183.0 secs Computing kpt #: 94 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 186.6 secs Computing kpt #: 95 total cpu time spent up to now is 189.3 secs Computing kpt #: 96 total cpu time spent up to now is 191.6 secs Computing kpt #: 97 total cpu time spent up to now is 194.5 secs Computing kpt #: 98 total cpu time spent up to now is 198.3 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 202.1 secs Computing kpt #: 100 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 205.6 secs Computing kpt #: 101 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 208.7 secs Computing kpt #: 102 total cpu time spent up to now is 211.7 secs Computing kpt #: 103 total cpu time spent up to now is 214.4 secs Computing kpt #: 104 total cpu time spent up to now is 217.4 secs Computing kpt #: 105 total cpu time spent up to now is 219.8 secs Computing kpt #: 106 total cpu time spent up to now is 221.9 secs Computing kpt #: 107 total cpu time spent up to now is 224.0 secs Computing kpt #: 108 total cpu time spent up to now is 226.1 secs Computing kpt #: 109 total cpu time spent up to now is 228.1 secs Computing kpt #: 110 total cpu time spent up to now is 230.8 secs Computing kpt #: 111 total cpu time spent up to now is 232.8 secs Computing kpt #: 112 total cpu time spent up to now is 234.8 secs Computing kpt #: 113 total cpu time spent up to now is 236.5 secs Computing kpt #: 114 total cpu time spent up to now is 238.3 secs Computing kpt #: 115 total cpu time spent up to now is 240.2 secs Computing kpt #: 116 total cpu time spent up to now is 242.4 secs Computing kpt #: 117 total cpu time spent up to now is 244.8 secs Computing kpt #: 118 total cpu time spent up to now is 247.1 secs Computing kpt #: 119 total cpu time spent up to now is 249.6 secs Computing kpt #: 120 total cpu time spent up to now is 252.0 secs Computing kpt #: 121 total cpu time spent up to now is 254.6 secs Computing kpt #: 122 total cpu time spent up to now is 257.0 secs Computing kpt #: 123 total cpu time spent up to now is 259.0 secs Computing kpt #: 124 total cpu time spent up to now is 261.4 secs Computing kpt #: 125 total cpu time spent up to now is 263.7 secs Computing kpt #: 126 total cpu time spent up to now is 265.4 secs Computing kpt #: 127 total cpu time spent up to now is 267.5 secs Computing kpt #: 128 total cpu time spent up to now is 269.5 secs Computing kpt #: 129 total cpu time spent up to now is 271.4 secs Computing kpt #: 130 total cpu time spent up to now is 273.5 secs Computing kpt #: 131 total cpu time spent up to now is 275.5 secs Computing kpt #: 132 total cpu time spent up to now is 277.6 secs Computing kpt #: 133 total cpu time spent up to now is 279.8 secs Computing kpt #: 134 total cpu time spent up to now is 281.3 secs Computing kpt #: 135 total cpu time spent up to now is 283.4 secs Computing kpt #: 136 total cpu time spent up to now is 285.8 secs Computing kpt #: 137 total cpu time spent up to now is 287.9 secs Computing kpt #: 138 total cpu time spent up to now is 290.0 secs Computing kpt #: 139 total cpu time spent up to now is 292.2 secs Computing kpt #: 140 total cpu time spent up to now is 294.3 secs Computing kpt #: 141 total cpu time spent up to now is 297.5 secs Computing kpt #: 142 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 300.8 secs Computing kpt #: 143 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 304.0 secs Computing kpt #: 144 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 307.4 secs Computing kpt #: 145 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 310.8 secs Computing kpt #: 146 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 314.5 secs Computing kpt #: 147 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 318.2 secs Computing kpt #: 148 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 321.5 secs Computing kpt #: 149 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 324.7 secs Computing kpt #: 150 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 327.9 secs Computing kpt #: 151 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 331.2 secs Computing kpt #: 152 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 334.5 secs Computing kpt #: 153 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 337.5 secs Computing kpt #: 154 total cpu time spent up to now is 339.2 secs Computing kpt #: 155 total cpu time spent up to now is 340.7 secs Computing kpt #: 156 total cpu time spent up to now is 342.4 secs Computing kpt #: 157 total cpu time spent up to now is 345.1 secs Computing kpt #: 158 total cpu time spent up to now is 347.4 secs Computing kpt #: 159 total cpu time spent up to now is 349.5 secs Computing kpt #: 160 total cpu time spent up to now is 351.1 secs Computing kpt #: 161 total cpu time spent up to now is 352.9 secs Computing kpt #: 162 total cpu time spent up to now is 354.6 secs Computing kpt #: 163 total cpu time spent up to now is 356.0 secs Computing kpt #: 164 total cpu time spent up to now is 357.7 secs Computing kpt #: 165 total cpu time spent up to now is 359.4 secs Computing kpt #: 166 total cpu time spent up to now is 361.1 secs Computing kpt #: 167 total cpu time spent up to now is 362.9 secs Computing kpt #: 168 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 366.4 secs Computing kpt #: 169 total cpu time spent up to now is 368.7 secs Computing kpt #: 170 total cpu time spent up to now is 370.7 secs Computing kpt #: 171 total cpu time spent up to now is 372.9 secs Computing kpt #: 172 total cpu time spent up to now is 374.9 secs Computing kpt #: 173 total cpu time spent up to now is 376.5 secs Computing kpt #: 174 total cpu time spent up to now is 378.2 secs Computing kpt #: 175 total cpu time spent up to now is 379.9 secs Computing kpt #: 176 total cpu time spent up to now is 381.7 secs Computing kpt #: 177 total cpu time spent up to now is 383.3 secs Computing kpt #: 178 total cpu time spent up to now is 385.0 secs Computing kpt #: 179 total cpu time spent up to now is 386.7 secs Computing kpt #: 180 total cpu time spent up to now is 388.3 secs Computing kpt #: 181 total cpu time spent up to now is 389.9 secs Computing kpt #: 182 total cpu time spent up to now is 391.5 secs Computing kpt #: 183 total cpu time spent up to now is 393.4 secs Computing kpt #: 184 total cpu time spent up to now is 394.9 secs Computing kpt #: 185 total cpu time spent up to now is 396.4 secs Computing kpt #: 186 total cpu time spent up to now is 398.0 secs Computing kpt #: 187 total cpu time spent up to now is 400.0 secs Computing kpt #: 188 total cpu time spent up to now is 401.8 secs Computing kpt #: 189 total cpu time spent up to now is 404.0 secs Computing kpt #: 190 total cpu time spent up to now is 406.2 secs Computing kpt #: 191 total cpu time spent up to now is 408.6 secs Computing kpt #: 192 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 412.1 secs Computing kpt #: 193 total cpu time spent up to now is 415.3 secs Computing kpt #: 194 total cpu time spent up to now is 417.6 secs Computing kpt #: 195 total cpu time spent up to now is 419.9 secs Computing kpt #: 196 total cpu time spent up to now is 422.4 secs Computing kpt #: 197 total cpu time spent up to now is 424.8 secs Computing kpt #: 198 total cpu time spent up to now is 427.2 secs Computing kpt #: 199 total cpu time spent up to now is 429.4 secs Computing kpt #: 200 total cpu time spent up to now is 431.6 secs Computing kpt #: 201 total cpu time spent up to now is 433.6 secs Computing kpt #: 202 total cpu time spent up to now is 435.3 secs Computing kpt #: 203 total cpu time spent up to now is 436.9 secs Computing kpt #: 204 total cpu time spent up to now is 438.4 secs Computing kpt #: 205 total cpu time spent up to now is 440.1 secs Computing kpt #: 206 total cpu time spent up to now is 441.7 secs Computing kpt #: 207 total cpu time spent up to now is 443.3 secs Computing kpt #: 208 total cpu time spent up to now is 444.9 secs Computing kpt #: 209 total cpu time spent up to now is 446.4 secs Computing kpt #: 210 total cpu time spent up to now is 447.8 secs Computing kpt #: 211 total cpu time spent up to now is 449.2 secs Computing kpt #: 212 total cpu time spent up to now is 450.9 secs Computing kpt #: 213 total cpu time spent up to now is 452.3 secs Computing kpt #: 214 total cpu time spent up to now is 453.7 secs Computing kpt #: 215 total cpu time spent up to now is 455.4 secs Computing kpt #: 216 total cpu time spent up to now is 457.1 secs Computing kpt #: 217 total cpu time spent up to now is 458.7 secs Computing kpt #: 218 total cpu time spent up to now is 460.3 secs Computing kpt #: 219 total cpu time spent up to now is 461.9 secs Computing kpt #: 220 total cpu time spent up to now is 463.6 secs Computing kpt #: 221 total cpu time spent up to now is 465.1 secs Computing kpt #: 222 total cpu time spent up to now is 466.4 secs Computing kpt #: 223 total cpu time spent up to now is 467.8 secs Computing kpt #: 224 total cpu time spent up to now is 469.1 secs Computing kpt #: 225 total cpu time spent up to now is 470.5 secs Computing kpt #: 226 total cpu time spent up to now is 472.0 secs Computing kpt #: 227 total cpu time spent up to now is 473.5 secs Computing kpt #: 228 total cpu time spent up to now is 474.9 secs Computing kpt #: 229 total cpu time spent up to now is 476.2 secs Computing kpt #: 230 total cpu time spent up to now is 477.4 secs Computing kpt #: 231 total cpu time spent up to now is 478.6 secs Computing kpt #: 232 total cpu time spent up to now is 479.7 secs Computing kpt #: 233 total cpu time spent up to now is 480.6 secs Computing kpt #: 234 total cpu time spent up to now is 481.8 secs Computing kpt #: 235 total cpu time spent up to now is 482.9 secs Computing kpt #: 236 total cpu time spent up to now is 484.1 secs Computing kpt #: 237 total cpu time spent up to now is 485.3 secs Computing kpt #: 238 total cpu time spent up to now is 486.5 secs Computing kpt #: 239 total cpu time spent up to now is 487.6 secs Computing kpt #: 240 total cpu time spent up to now is 488.7 secs Computing kpt #: 241 total cpu time spent up to now is 489.8 secs Computing kpt #: 242 total cpu time spent up to now is 490.9 secs Computing kpt #: 243 total cpu time spent up to now is 492.7 secs Computing kpt #: 244 total cpu time spent up to now is 493.7 secs Computing kpt #: 245 total cpu time spent up to now is 494.9 secs Computing kpt #: 246 total cpu time spent up to now is 496.0 secs Computing kpt #: 247 total cpu time spent up to now is 497.1 secs Computing kpt #: 248 total cpu time spent up to now is 498.3 secs Computing kpt #: 249 total cpu time spent up to now is 499.7 secs Computing kpt #: 250 total cpu time spent up to now is 501.1 secs Computing kpt #: 251 total cpu time spent up to now is 502.6 secs Computing kpt #: 252 total cpu time spent up to now is 504.4 secs Computing kpt #: 253 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 507.0 secs Computing kpt #: 254 total cpu time spent up to now is 509.2 secs Computing kpt #: 255 total cpu time spent up to now is 511.2 secs Computing kpt #: 256 total cpu time spent up to now is 513.1 secs Computing kpt #: 257 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 515.6 secs Computing kpt #: 258 total cpu time spent up to now is 517.5 secs Computing kpt #: 259 total cpu time spent up to now is 519.2 secs Computing kpt #: 260 total cpu time spent up to now is 521.0 secs Computing kpt #: 261 total cpu time spent up to now is 522.5 secs Computing kpt #: 262 total cpu time spent up to now is 524.1 secs Computing kpt #: 263 total cpu time spent up to now is 525.7 secs Computing kpt #: 264 total cpu time spent up to now is 527.3 secs Computing kpt #: 265 total cpu time spent up to now is 529.0 secs Computing kpt #: 266 total cpu time spent up to now is 530.7 secs Computing kpt #: 267 total cpu time spent up to now is 532.5 secs Computing kpt #: 268 total cpu time spent up to now is 534.6 secs Computing kpt #: 269 total cpu time spent up to now is 536.7 secs Computing kpt #: 270 total cpu time spent up to now is 539.0 secs Computing kpt #: 271 total cpu time spent up to now is 541.5 secs Computing kpt #: 272 total cpu time spent up to now is 544.2 secs Computing kpt #: 273 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 546.9 secs Computing kpt #: 274 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 549.8 secs Computing kpt #: 275 total cpu time spent up to now is 552.5 secs Computing kpt #: 276 total cpu time spent up to now is 554.7 secs Computing kpt #: 277 total cpu time spent up to now is 556.7 secs Computing kpt #: 278 total cpu time spent up to now is 558.7 secs Computing kpt #: 279 total cpu time spent up to now is 560.6 secs Computing kpt #: 280 total cpu time spent up to now is 561.9 secs Computing kpt #: 281 total cpu time spent up to now is 563.1 secs Computing kpt #: 282 total cpu time spent up to now is 564.4 secs Computing kpt #: 283 total cpu time spent up to now is 566.3 secs Computing kpt #: 284 total cpu time spent up to now is 567.7 secs Computing kpt #: 285 total cpu time spent up to now is 569.0 secs Computing kpt #: 286 total cpu time spent up to now is 570.6 secs Computing kpt #: 287 total cpu time spent up to now is 572.1 secs Computing kpt #: 288 total cpu time spent up to now is 573.8 secs Computing kpt #: 289 total cpu time spent up to now is 575.9 secs Computing kpt #: 290 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 578.7 secs Computing kpt #: 291 total cpu time spent up to now is 581.5 secs Computing kpt #: 292 total cpu time spent up to now is 583.4 secs Computing kpt #: 293 total cpu time spent up to now is 585.3 secs Computing kpt #: 294 total cpu time spent up to now is 587.0 secs Computing kpt #: 295 total cpu time spent up to now is 588.9 secs Computing kpt #: 296 total cpu time spent up to now is 590.7 secs Computing kpt #: 297 total cpu time spent up to now is 592.7 secs Computing kpt #: 298 total cpu time spent up to now is 594.9 secs Computing kpt #: 299 total cpu time spent up to now is 597.6 secs Computing kpt #: 300 total cpu time spent up to now is 600.1 secs Computing kpt #: 301 total cpu time spent up to now is 602.3 secs Computing kpt #: 302 total cpu time spent up to now is 604.5 secs Computing kpt #: 303 total cpu time spent up to now is 606.8 secs Computing kpt #: 304 total cpu time spent up to now is 609.1 secs Computing kpt #: 305 total cpu time spent up to now is 611.2 secs Computing kpt #: 306 total cpu time spent up to now is 614.2 secs Computing kpt #: 307 total cpu time spent up to now is 616.5 secs Computing kpt #: 308 total cpu time spent up to now is 618.7 secs Computing kpt #: 309 total cpu time spent up to now is 620.9 secs Computing kpt #: 310 total cpu time spent up to now is 622.8 secs Computing kpt #: 311 total cpu time spent up to now is 625.4 secs Computing kpt #: 312 total cpu time spent up to now is 626.9 secs Computing kpt #: 313 total cpu time spent up to now is 628.5 secs Computing kpt #: 314 total cpu time spent up to now is 630.1 secs Computing kpt #: 315 total cpu time spent up to now is 631.5 secs Computing kpt #: 316 total cpu time spent up to now is 632.8 secs Computing kpt #: 317 total cpu time spent up to now is 634.3 secs Computing kpt #: 318 total cpu time spent up to now is 635.7 secs Computing kpt #: 319 total cpu time spent up to now is 637.1 secs Computing kpt #: 320 total cpu time spent up to now is 638.4 secs Computing kpt #: 321 total cpu time spent up to now is 639.8 secs Computing kpt #: 322 total cpu time spent up to now is 641.2 secs Computing kpt #: 323 total cpu time spent up to now is 642.6 secs Computing kpt #: 324 total cpu time spent up to now is 643.7 secs Computing kpt #: 325 total cpu time spent up to now is 644.8 secs Computing kpt #: 326 total cpu time spent up to now is 646.1 secs Computing kpt #: 327 total cpu time spent up to now is 647.2 secs Computing kpt #: 328 total cpu time spent up to now is 648.4 secs Computing kpt #: 329 total cpu time spent up to now is 649.6 secs ethr = 2.78E-08, avg # of iterations = 56.4 total cpu time spent up to now is 649.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5273 PWs) bands (ev): -35.7365 -35.7365 -35.7310 -35.7310 -16.9833 -16.9833 -16.9539 -16.9539 -16.6243 -16.6243 -16.5876 -16.5876 -16.5737 -16.5737 -16.5556 -16.5556 -7.8140 -7.8140 -7.5138 -7.5138 0.2953 0.2953 2.3626 2.3626 2.4329 2.4329 3.1293 3.1293 3.3376 3.3376 3.4210 3.4210 3.7886 3.7886 3.8929 3.8929 7.3492 7.3492 7.9513 7.9513 8.8109 8.8109 8.8359 8.8359 k = 0.0000 0.0128-0.0000 ( 5275 PWs) bands (ev): -35.7365 -35.7365 -35.7310 -35.7310 -16.9833 -16.9833 -16.9539 -16.9539 -16.6243 -16.6243 -16.5876 -16.5876 -16.5737 -16.5737 -16.5557 -16.5557 -7.8135 -7.8135 -7.5134 -7.5134 0.2965 0.2965 2.3613 2.3613 2.4310 2.4310 3.1278 3.1278 3.3350 3.3350 3.4203 3.4203 3.7871 3.7871 3.8936 3.8936 7.3523 7.3523 7.9511 7.9511 8.8051 8.8051 8.8305 8.8305 k = 0.0000 0.0256-0.0000 ( 5271 PWs) bands (ev): -35.7365 -35.7365 -35.7310 -35.7310 -16.9834 -16.9834 -16.9540 -16.9540 -16.6243 -16.6243 -16.5878 -16.5878 -16.5737 -16.5737 -16.5558 -16.5558 -7.8118 -7.8118 -7.5124 -7.5124 0.3001 0.3001 2.3573 2.3573 2.4253 2.4253 3.1233 3.1233 3.3272 3.3272 3.4186 3.4186 3.7826 3.7826 3.8955 3.8955 7.3615 7.3615 7.9505 7.9505 8.7875 8.7875 8.8191 8.8191 k = 0.0000 0.0385-0.0000 ( 5267 PWs) bands (ev): -35.7365 -35.7365 -35.7309 -35.7309 -16.9834 -16.9834 -16.9542 -16.9542 -16.6242 -16.6242 -16.5880 -16.5880 -16.5738 -16.5738 -16.5561 -16.5561 -7.8090 -7.8090 -7.5106 -7.5106 0.3060 0.3060 2.3504 2.3504 2.4156 2.4156 3.1157 3.1157 3.3143 3.3143 3.4166 3.4166 3.7756 3.7756 3.8983 3.8983 7.3765 7.3765 7.9489 7.9489 8.7620 8.7620 8.8055 8.8055 k = 0.0000 0.0513-0.0000 ( 5247 PWs) bands (ev): -35.7364 -35.7364 -35.7309 -35.7309 -16.9834 -16.9834 -16.9544 -16.9544 -16.6242 -16.6242 -16.5883 -16.5883 -16.5738 -16.5738 -16.5564 -16.5564 -7.8051 -7.8051 -7.5081 -7.5081 0.3143 0.3143 2.3404 2.3404 2.4019 2.4019 3.1051 3.1051 3.2969 3.2969 3.4151 3.4151 3.7664 3.7664 3.9015 3.9015 7.3969 7.3969 7.9455 7.9455 8.7353 8.7353 8.7893 8.7893 k = 0.0000 0.0641-0.0000 ( 5251 PWs) bands (ev): -35.7363 -35.7363 -35.7309 -35.7309 -16.9835 -16.9835 -16.9547 -16.9547 -16.6242 -16.6242 -16.5887 -16.5887 -16.5740 -16.5740 -16.5569 -16.5569 -7.8002 -7.8002 -7.5049 -7.5049 0.3249 0.3249 2.3266 2.3266 2.3839 2.3839 3.0913 3.0913 3.2760 3.2760 3.4144 3.4144 3.7557 3.7557 3.9044 3.9044 7.4220 7.4220 7.9395 7.9395 8.7111 8.7111 8.7706 8.7706 k = 0.0000 0.0769-0.0000 ( 5263 PWs) bands (ev): -35.7363 -35.7363 -35.7309 -35.7309 -16.9836 -16.9836 -16.9551 -16.9551 -16.6242 -16.6242 -16.5893 -16.5893 -16.5742 -16.5742 -16.5575 -16.5575 -7.7942 -7.7942 -7.5010 -7.5010 0.3378 0.3378 2.3085 2.3085 2.3617 2.3617 3.0747 3.0747 3.2533 3.2533 3.4147 3.4147 3.7440 3.7440 3.9065 3.9065 7.4512 7.4512 7.9304 7.9304 8.6908 8.6908 8.7496 8.7496 k = 0.0000 0.0897-0.0000 ( 5263 PWs) bands (ev): -35.7362 -35.7362 -35.7308 -35.7308 -16.9837 -16.9837 -16.9556 -16.9556 -16.6242 -16.6242 -16.5899 -16.5899 -16.5744 -16.5744 -16.5581 -16.5581 -7.7872 -7.7872 -7.4966 -7.4966 0.3531 0.3531 2.2852 2.2852 2.3353 2.3353 3.0556 3.0556 3.2301 3.2301 3.4160 3.4160 3.7321 3.7321 3.9076 3.9076 7.4837 7.4837 7.9180 7.9180 8.6749 8.6749 8.7270 8.7271 k = 0.0000 0.1026-0.0000 ( 5265 PWs) bands (ev): -35.7361 -35.7361 -35.7308 -35.7308 -16.9838 -16.9838 -16.9561 -16.9561 -16.6242 -16.6242 -16.5905 -16.5905 -16.5746 -16.5746 -16.5588 -16.5588 -7.7791 -7.7791 -7.4915 -7.4915 0.3705 0.3705 2.2559 2.2559 2.3050 2.3050 3.0346 3.0346 3.2076 3.2076 3.4182 3.4182 3.7203 3.7203 3.9073 3.9073 7.5187 7.5187 7.9026 7.9026 8.6627 8.6627 8.7035 8.7035 k = 0.0000 0.1154-0.0000 ( 5269 PWs) bands (ev): -35.7360 -35.7360 -35.7308 -35.7308 -16.9839 -16.9839 -16.9566 -16.9566 -16.6243 -16.6243 -16.5913 -16.5913 -16.5749 -16.5749 -16.5595 -16.5595 -7.7701 -7.7701 -7.4859 -7.4859 0.3902 0.3902 2.2198 2.2198 2.2711 2.2711 3.0124 3.0124 3.1868 3.1868 3.4212 3.4212 3.7091 3.7091 3.9055 3.9055 7.5555 7.5555 7.8846 7.8846 8.6531 8.6531 8.6796 8.6796 k = 0.0000 0.1282-0.0000 ( 5273 PWs) bands (ev): -35.7359 -35.7359 -35.7307 -35.7307 -16.9840 -16.9840 -16.9573 -16.9573 -16.6243 -16.6243 -16.5922 -16.5922 -16.5752 -16.5752 -16.5603 -16.5603 -7.7602 -7.7602 -7.4797 -7.4797 0.4120 0.4120 2.1769 2.1769 2.2336 2.2336 2.9899 2.9899 3.1682 3.1682 3.4250 3.4250 3.6988 3.6988 3.9020 3.9020 7.5934 7.5934 7.8648 7.8648 8.6440 8.6440 8.6569 8.6569 k = 0.0000 0.1410-0.0000 ( 5265 PWs) bands (ev): -35.7357 -35.7357 -35.7307 -35.7307 -16.9842 -16.9842 -16.9579 -16.9579 -16.6243 -16.6243 -16.5931 -16.5931 -16.5754 -16.5754 -16.5611 -16.5611 -7.7493 -7.7493 -7.4731 -7.4731 0.4359 0.4359 2.1276 2.1276 2.1921 2.1921 2.9678 2.9678 3.1521 3.1521 3.4294 3.4294 3.6894 3.6894 3.8971 3.8971 7.6315 7.6315 7.8442 7.8442 8.6276 8.6276 8.6431 8.6431 k = 0.0000 0.1538-0.0000 ( 5265 PWs) bands (ev): -35.7356 -35.7356 -35.7306 -35.7306 -16.9843 -16.9843 -16.9587 -16.9587 -16.6244 -16.6244 -16.5940 -16.5940 -16.5758 -16.5758 -16.5619 -16.5619 -7.7377 -7.7377 -7.4660 -7.4660 0.4618 0.4618 2.0727 2.0727 2.1465 2.1465 2.9466 2.9466 3.1387 3.1387 3.4343 3.4343 3.6810 3.6810 3.8908 3.8908 7.6693 7.6693 7.8234 7.8234 8.6052 8.6052 8.6362 8.6362 k = 0.0000 0.1667-0.0000 ( 5275 PWs) bands (ev): -35.7354 -35.7354 -35.7306 -35.7306 -16.9845 -16.9845 -16.9595 -16.9595 -16.6246 -16.6246 -16.5951 -16.5951 -16.5762 -16.5762 -16.5627 -16.5627 -7.7252 -7.7252 -7.4586 -7.4586 0.4896 0.4896 2.0131 2.0131 2.0969 2.0969 2.9267 2.9267 3.1280 3.1280 3.4394 3.4394 3.6736 3.6736 3.8834 3.8834 7.7061 7.7061 7.8033 7.8033 8.5830 8.5830 8.6305 8.6305 k = 0.0000 0.1795-0.0000 ( 5281 PWs) bands (ev): -35.7353 -35.7353 -35.7305 -35.7305 -16.9847 -16.9847 -16.9603 -16.9603 -16.6247 -16.6247 -16.5962 -16.5962 -16.5766 -16.5766 -16.5635 -16.5635 -7.7120 -7.7120 -7.4508 -7.4508 0.5193 0.5193 1.9499 1.9499 2.0435 2.0435 2.9079 2.9079 3.1199 3.1199 3.4447 3.4447 3.6669 3.6669 3.8751 3.8751 7.7407 7.7407 7.7852 7.7852 8.5617 8.5617 8.6252 8.6252 k = 0.0000 0.1923-0.0000 ( 5279 PWs) bands (ev): -35.7351 -35.7351 -35.7305 -35.7305 -16.9849 -16.9849 -16.9612 -16.9612 -16.6249 -16.6249 -16.5974 -16.5974 -16.5770 -16.5770 -16.5642 -16.5642 -7.6981 -7.6981 -7.4428 -7.4428 0.5507 0.5507 1.8838 1.8838 1.9869 1.9869 2.8902 2.8902 3.1141 3.1141 3.4496 3.4496 3.6611 3.6611 3.8664 3.8664 7.7587 7.7587 7.7833 7.7833 8.5418 8.5418 8.6202 8.6202 k = 0.0000 0.2051-0.0000 ( 5283 PWs) bands (ev): -35.7349 -35.7349 -35.7304 -35.7304 -16.9851 -16.9851 -16.9621 -16.9621 -16.6251 -16.6251 -16.5986 -16.5986 -16.5774 -16.5774 -16.5650 -16.5650 -7.6836 -7.6836 -7.4346 -7.4346 0.5835 0.5835 1.8157 1.8157 1.9277 1.9277 2.8733 2.8733 3.1106 3.1106 3.4540 3.4540 3.6560 3.6560 3.8575 3.8575 7.7459 7.7459 7.8119 7.8119 8.5235 8.5235 8.6159 8.6159 k = 0.0000 0.2179-0.0000 ( 5275 PWs) bands (ev): -35.7347 -35.7347 -35.7304 -35.7304 -16.9853 -16.9853 -16.9631 -16.9631 -16.6253 -16.6253 -16.5998 -16.5998 -16.5778 -16.5778 -16.5656 -16.5656 -7.6686 -7.6686 -7.4263 -7.4263 0.6178 0.6178 1.7465 1.7465 1.8668 1.8668 2.8567 2.8567 3.1091 3.1091 3.4573 3.4573 3.6517 3.6517 3.8490 3.8490 7.7315 7.7315 7.8415 7.8415 8.5070 8.5070 8.6125 8.6125 k = 0.0000 0.2308-0.0000 ( 5271 PWs) bands (ev): -35.7345 -35.7345 -35.7304 -35.7304 -16.9855 -16.9855 -16.9641 -16.9641 -16.6256 -16.6256 -16.6011 -16.6011 -16.5782 -16.5782 -16.5662 -16.5662 -7.6531 -7.6531 -7.4179 -7.4179 0.6531 0.6531 1.6768 1.6768 1.8051 1.8051 2.8398 2.8398 3.1094 3.1094 3.4591 3.4591 3.6485 3.6485 3.8413 3.8413 7.7182 7.7182 7.8692 7.8692 8.4925 8.4925 8.6105 8.6105 k = 0.0000 0.2436-0.0000 ( 5271 PWs) bands (ev): -35.7343 -35.7343 -35.7303 -35.7303 -16.9857 -16.9857 -16.9651 -16.9651 -16.6259 -16.6259 -16.6025 -16.6025 -16.5785 -16.5785 -16.5669 -16.5669 -7.6372 -7.6372 -7.4096 -7.4096 0.6891 0.6891 1.6073 1.6073 1.7434 1.7434 2.8223 2.8223 3.1112 3.1112 3.4589 3.4589 3.6466 3.6466 3.8346 3.8346 7.7063 7.7063 7.8945 7.8945 8.4801 8.4801 8.6104 8.6104 k = 0.0000 0.2564-0.0000 ( 5261 PWs) bands (ev): -35.7341 -35.7341 -35.7303 -35.7303 -16.9859 -16.9859 -16.9661 -16.9661 -16.6262 -16.6262 -16.6038 -16.6038 -16.5789 -16.5789 -16.5674 -16.5674 -7.6209 -7.6209 -7.4013 -7.4013 0.7254 0.7254 1.5387 1.5387 1.6828 1.6828 2.8036 2.8036 3.1144 3.1144 3.4564 3.4564 3.6464 3.6464 3.8291 3.8291 7.6959 7.6959 7.9171 7.9171 8.4698 8.4698 8.6127 8.6127 k = 0.0000 0.2692-0.0000 ( 5265 PWs) bands (ev): -35.7339 -35.7339 -35.7302 -35.7302 -16.9861 -16.9861 -16.9672 -16.9672 -16.6265 -16.6265 -16.6052 -16.6052 -16.5792 -16.5792 -16.5680 -16.5680 -7.6044 -7.6044 -7.3933 -7.3933 0.7613 0.7613 1.4714 1.4714 1.6244 1.6244 2.7831 2.7831 3.1187 3.1187 3.4513 3.4513 3.6481 3.6481 3.8249 3.8249 7.6867 7.6867 7.9368 7.9368 8.4620 8.4620 8.6176 8.6176 k = 0.0000 0.2821-0.0000 ( 5257 PWs) bands (ev): -35.7337 -35.7337 -35.7302 -35.7302 -16.9863 -16.9863 -16.9683 -16.9683 -16.6269 -16.6269 -16.6067 -16.6067 -16.5794 -16.5794 -16.5684 -16.5684 -7.5878 -7.5878 -7.3854 -7.3854 0.7960 0.7960 1.4059 1.4059 1.5697 1.5697 2.7604 2.7604 3.1241 3.1241 3.4438 3.4438 3.6518 3.6518 3.8220 3.8220 7.6788 7.6788 7.9535 7.9535 8.4565 8.4565 8.6257 8.6257 k = 0.0000 0.2949-0.0000 ( 5255 PWs) bands (ev): -35.7335 -35.7335 -35.7302 -35.7302 -16.9864 -16.9864 -16.9694 -16.9694 -16.6272 -16.6272 -16.6081 -16.6081 -16.5796 -16.5796 -16.5689 -16.5689 -7.5710 -7.5710 -7.3780 -7.3780 0.8284 0.8284 1.3426 1.3426 1.5202 1.5202 2.7352 2.7352 3.1302 3.1302 3.4343 3.4343 3.6573 3.6573 3.8203 3.8203 7.6718 7.6718 7.9670 7.9670 8.4535 8.4535 8.6370 8.6370 k = 0.0000 0.3077-0.0000 ( 5250 PWs) bands (ev): -35.7333 -35.7333 -35.7302 -35.7302 -16.9866 -16.9866 -16.9705 -16.9705 -16.6275 -16.6275 -16.6096 -16.6096 -16.5797 -16.5797 -16.5694 -16.5694 -7.5543 -7.5543 -7.3709 -7.3709 0.8566 0.8566 1.2818 1.2818 1.4780 1.4780 2.7070 2.7070 3.1371 3.1371 3.4233 3.4233 3.6644 3.6644 3.8196 3.8196 7.6660 7.6660 7.9770 7.9770 8.4531 8.4531 8.6519 8.6519 k = 0.0000 0.3205-0.0000 ( 5250 PWs) bands (ev): -35.7331 -35.7331 -35.7301 -35.7301 -16.9867 -16.9867 -16.9716 -16.9716 -16.6279 -16.6279 -16.6110 -16.6110 -16.5797 -16.5797 -16.5698 -16.5698 -7.5376 -7.5376 -7.3644 -7.3644 0.8789 0.8789 1.2238 1.2238 1.4457 1.4457 2.6757 2.6757 3.1445 3.1445 3.4114 3.4114 3.6729 3.6729 3.8197 3.8197 7.6611 7.6611 7.9833 7.9833 8.4553 8.4553 8.6701 8.6701 k = 0.0000 0.3333-0.0000 ( 5258 PWs) bands (ev): -35.7329 -35.7329 -35.7301 -35.7301 -16.9868 -16.9868 -16.9727 -16.9727 -16.6282 -16.6282 -16.6125 -16.6125 -16.5797 -16.5797 -16.5702 -16.5702 -7.5211 -7.5211 -7.3584 -7.3584 0.8929 0.8929 1.1686 1.1686 1.4256 1.4256 2.6412 2.6412 3.1524 3.1524 3.3990 3.3990 3.6824 3.6824 3.8204 3.8204 7.6574 7.6574 7.9858 7.9858 8.4601 8.4601 8.6917 8.6917 k = 0.0000 0.3462-0.0000 ( 5252 PWs) bands (ev): -35.7327 -35.7327 -35.7301 -35.7301 -16.9869 -16.9869 -16.9738 -16.9738 -16.6285 -16.6285 -16.6139 -16.6139 -16.5797 -16.5797 -16.5707 -16.5707 -7.5049 -7.5049 -7.3530 -7.3530 0.8975 0.8975 1.1165 1.1165 1.4197 1.4197 2.6033 2.6033 3.1606 3.1606 3.3865 3.3865 3.6926 3.6926 3.8215 3.8215 7.6548 7.6548 7.9845 7.9845 8.4676 8.4676 8.7162 8.7162 k = 0.0000 0.3590-0.0000 ( 5260 PWs) bands (ev): -35.7325 -35.7325 -35.7301 -35.7301 -16.9869 -16.9869 -16.9749 -16.9749 -16.6287 -16.6287 -16.6153 -16.6153 -16.5795 -16.5795 -16.5711 -16.5711 -7.4891 -7.4891 -7.3484 -7.3484 0.8927 0.8927 1.0673 1.0673 1.4281 1.4281 2.5621 2.5621 3.1692 3.1692 3.3743 3.3743 3.7032 3.7032 3.8227 3.8227 7.6535 7.6535 7.9792 7.9792 8.4778 8.4778 8.7433 8.7433 k = 0.0000 0.3718-0.0000 ( 5262 PWs) bands (ev): -35.7323 -35.7323 -35.7302 -35.7302 -16.9869 -16.9869 -16.9759 -16.9759 -16.6289 -16.6289 -16.6167 -16.6167 -16.5794 -16.5794 -16.5715 -16.5715 -7.4736 -7.4736 -7.3445 -7.3445 0.8804 0.8804 1.0213 1.0213 1.4494 1.4494 2.5178 2.5178 3.1779 3.1779 3.3625 3.3625 3.7142 3.7142 3.8239 3.8239 7.6538 7.6538 7.9701 7.9701 8.4906 8.4906 8.7723 8.7723 k = 0.0000 0.3846-0.0000 ( 5268 PWs) bands (ev): -35.7322 -35.7322 -35.7302 -35.7302 -16.9869 -16.9869 -16.9770 -16.9770 -16.6291 -16.6291 -16.6180 -16.6180 -16.5792 -16.5792 -16.5719 -16.5719 -7.4587 -7.4587 -7.3415 -7.3415 0.8631 0.8631 0.9785 0.9785 1.4812 1.4812 2.4705 2.4705 3.1868 3.1868 3.3513 3.3513 3.7252 3.7252 3.8250 3.8250 7.6557 7.6557 7.9574 7.9574 8.5062 8.5062 8.8027 8.8027 k = 0.0000 0.3974-0.0000 ( 5268 PWs) bands (ev): -35.7320 -35.7320 -35.7302 -35.7302 -16.9868 -16.9868 -16.9780 -16.9780 -16.6292 -16.6292 -16.6193 -16.6193 -16.5789 -16.5789 -16.5723 -16.5723 -7.4444 -7.4444 -7.3394 -7.3394 0.8435 0.8435 0.9390 0.9390 1.5210 1.5210 2.4206 2.4206 3.1958 3.1958 3.3405 3.3405 3.7361 3.7361 3.8257 3.8257 7.6595 7.6595 7.9415 7.9415 8.5244 8.5244 8.8336 8.8336 k = 0.0000 0.4103-0.0000 ( 5260 PWs) bands (ev): -35.7318 -35.7318 -35.7303 -35.7303 -16.9867 -16.9867 -16.9789 -16.9789 -16.6291 -16.6291 -16.6205 -16.6205 -16.5786 -16.5786 -16.5727 -16.5727 -7.4307 -7.4307 -7.3382 -7.3382 0.8237 0.8237 0.9030 0.9030 1.5668 1.5668 2.3683 2.3683 3.2048 3.2048 3.3303 3.3303 3.7468 3.7468 3.8259 3.8259 7.6652 7.6652 7.9230 7.9230 8.5452 8.5452 8.8641 8.8641 k = 0.0000 0.4231-0.0000 ( 5268 PWs) bands (ev): -35.7316 -35.7316 -35.7303 -35.7303 -16.9865 -16.9865 -16.9798 -16.9798 -16.6291 -16.6291 -16.6217 -16.6217 -16.5783 -16.5783 -16.5732 -16.5732 -7.4178 -7.4178 -7.3380 -7.3380 0.8052 0.8052 0.8707 0.8707 1.6169 1.6169 2.3140 2.3140 3.2138 3.2138 3.3205 3.3205 3.7571 3.7571 3.8255 3.8255 7.6730 7.6730 7.9022 7.9022 8.5686 8.5686 8.8934 8.8934 k = 0.0000 0.4359-0.0000 ( 5280 PWs) bands (ev): -35.7315 -35.7315 -35.7304 -35.7304 -16.9863 -16.9863 -16.9807 -16.9807 -16.6290 -16.6290 -16.6228 -16.6228 -16.5779 -16.5779 -16.5736 -16.5736 -7.4057 -7.4057 -7.3388 -7.3388 0.7891 0.7891 0.8422 0.8422 1.6703 1.6703 2.2579 2.2579 3.2228 3.2228 3.3111 3.3111 3.7670 3.7670 3.8243 3.8243 7.6831 7.6831 7.8799 7.8799 8.5946 8.5946 8.9204 8.9204 k = 0.0000 0.4487-0.0000 ( 5264 PWs) bands (ev): -35.7313 -35.7313 -35.7304 -35.7304 -16.9860 -16.9860 -16.9815 -16.9815 -16.6287 -16.6287 -16.6238 -16.6238 -16.5775 -16.5775 -16.5740 -16.5740 -7.3944 -7.3944 -7.3407 -7.3407 0.7760 0.7760 0.8178 0.8178 1.7260 1.7260 2.2003 2.2003 3.2317 3.2317 3.3019 3.3019 3.7763 3.7763 3.8225 3.8225 7.6953 7.6953 7.8566 7.8566 8.6230 8.6230 8.9255 8.9262 k = 0.0000 0.4615-0.0000 ( 5276 PWs) bands (ev): -35.7312 -35.7312 -35.7305 -35.7305 -16.9856 -16.9856 -16.9823 -16.9823 -16.6284 -16.6284 -16.6247 -16.6247 -16.5771 -16.5771 -16.5745 -16.5745 -7.3841 -7.3841 -7.3437 -7.3437 0.7666 0.7666 0.7976 0.7976 1.7835 1.7835 2.1417 2.1417 3.2406 3.2406 3.2930 3.2930 3.7849 3.7849 3.8197 3.8197 7.7098 7.7098 7.8330 7.8330 8.6538 8.6538 8.8830 8.8830 k = 0.0000 0.4744-0.0000 ( 5276 PWs) bands (ev): -35.7311 -35.7311 -35.7306 -35.7306 -16.9852 -16.9852 -16.9830 -16.9830 -16.6280 -16.6280 -16.6255 -16.6255 -16.5767 -16.5767 -16.5749 -16.5749 -7.3748 -7.3748 -7.3478 -7.3478 0.7611 0.7611 0.7816 0.7816 1.8423 1.8423 2.0822 2.0822 3.2494 3.2494 3.2842 3.2842 3.7928 3.7928 3.8161 3.8161 7.7263 7.7263 7.8095 7.8095 8.6870 8.6870 8.8403 8.8403 k = 0.0000 0.4872-0.0000 ( 5276 PWs) bands (ev): -35.7309 -35.7309 -35.7307 -35.7307 -16.9848 -16.9848 -16.9836 -16.9836 -16.6275 -16.6275 -16.6263 -16.6263 -16.5763 -16.5763 -16.5754 -16.5754 -7.3664 -7.3664 -7.3529 -7.3529 0.7598 0.7598 0.7700 0.7700 1.9019 1.9019 2.0222 2.0222 3.2581 3.2581 3.2755 3.2755 3.8000 3.8000 3.8116 3.8116 7.7448 7.7448 7.7867 7.7867 8.7223 8.7223 8.7991 8.7991 k = 0.0000 0.5000-0.0000 ( 5272 PWs) bands (ev): -35.7308 -35.7308 -35.7308 -35.7308 -16.9842 -16.9842 -16.9842 -16.9842 -16.6270 -16.6270 -16.6270 -16.6270 -16.5758 -16.5758 -16.5758 -16.5758 -7.3591 -7.3591 -7.3591 -7.3591 0.7627 0.7627 0.7627 0.7627 1.9620 1.9620 1.9620 1.9620 3.2668 3.2668 3.2668 3.2668 3.8062 3.8062 3.8062 3.8062 7.7650 7.7650 7.7650 7.7650 8.7597 8.7597 8.7597 8.7597 k = 0.0000 0.5000-0.0000 ( 5272 PWs) bands (ev): -35.7308 -35.7308 -35.7308 -35.7308 -16.9842 -16.9842 -16.9842 -16.9842 -16.6270 -16.6270 -16.6270 -16.6270 -16.5758 -16.5758 -16.5758 -16.5758 -7.3591 -7.3591 -7.3591 -7.3591 0.7627 0.7627 0.7627 0.7627 1.9620 1.9620 1.9620 1.9620 3.2668 3.2668 3.2668 3.2668 3.8062 3.8062 3.8062 3.8062 7.7650 7.7650 7.7650 7.7650 8.7597 8.7597 8.7597 8.7597 k = 0.0128 0.5000-0.0000 ( 5268 PWs) bands (ev): -35.7308 -35.7308 -35.7308 -35.7308 -16.9842 -16.9842 -16.9842 -16.9842 -16.6271 -16.6271 -16.6267 -16.6267 -16.5761 -16.5761 -16.5757 -16.5757 -7.3588 -7.3588 -7.3588 -7.3588 0.7631 0.7631 0.7638 0.7638 1.9623 1.9623 1.9629 1.9629 3.2622 3.2622 3.2654 3.2654 3.8013 3.8013 3.8071 3.8071 7.7660 7.7660 7.7661 7.7661 8.7583 8.7583 8.7626 8.7626 k = 0.0256 0.5000-0.0000 ( 5274 PWs) bands (ev): -35.7308 -35.7308 -35.7308 -35.7308 -16.9843 -16.9843 -16.9842 -16.9842 -16.6273 -16.6273 -16.6265 -16.6265 -16.5764 -16.5764 -16.5757 -16.5757 -7.3579 -7.3579 -7.3578 -7.3578 0.7652 0.7652 0.7665 0.7665 1.9638 1.9638 1.9651 1.9651 3.2516 3.2516 3.2580 3.2580 3.7926 3.7926 3.8041 3.8041 7.7691 7.7691 7.7692 7.7692 8.7583 8.7583 8.7668 8.7668 k = 0.0385 0.5000-0.0000 ( 5286 PWs) bands (ev): -35.7308 -35.7308 -35.7308 -35.7308 -16.9844 -16.9844 -16.9843 -16.9843 -16.6275 -16.6275 -16.6262 -16.6262 -16.5770 -16.5770 -16.5758 -16.5758 -7.3563 -7.3563 -7.3562 -7.3562 0.7687 0.7687 0.7708 0.7708 1.9666 1.9666 1.9684 1.9684 3.2350 3.2350 3.2444 3.2444 3.7803 3.7803 3.7973 3.7973 7.7741 7.7741 7.7742 7.7742 8.7598 8.7598 8.7723 8.7723 k = 0.0513 0.5000-0.0000 ( 5294 PWs) bands (ev): -35.7307 -35.7307 -35.7307 -35.7307 -16.9845 -16.9845 -16.9844 -16.9844 -16.6276 -16.6276 -16.6259 -16.6259 -16.5776 -16.5776 -16.5760 -16.5760 -7.3541 -7.3541 -7.3539 -7.3539 0.7737 0.7737 0.7766 0.7766 1.9706 1.9706 1.9730 1.9730 3.2127 3.2127 3.2247 3.2247 3.7649 3.7649 3.7871 3.7871 7.7811 7.7811 7.7812 7.7812 8.7630 8.7630 8.7792 8.7792 k = 0.0641 0.5000-0.0000 ( 5290 PWs) bands (ev): -35.7307 -35.7307 -35.7307 -35.7307 -16.9846 -16.9846 -16.9845 -16.9845 -16.6277 -16.6277 -16.6256 -16.6256 -16.5783 -16.5783 -16.5764 -16.5764 -7.3512 -7.3512 -7.3510 -7.3510 0.7802 0.7802 0.7838 0.7838 1.9758 1.9758 1.9787 1.9787 3.1845 3.1845 3.1989 3.1989 3.7469 3.7469 3.7739 3.7739 7.7899 7.7899 7.7900 7.7900 8.7679 8.7679 8.7877 8.7877 k = 0.0769 0.5000-0.0000 ( 5274 PWs) bands (ev): -35.7306 -35.7306 -35.7306 -35.7306 -16.9847 -16.9847 -16.9845 -16.9845 -16.6278 -16.6278 -16.6252 -16.6252 -16.5791 -16.5791 -16.5768 -16.5768 -7.3478 -7.3478 -7.3475 -7.3475 0.7882 0.7882 0.7926 0.7926 1.9822 1.9822 1.9856 1.9856 3.1508 3.1508 3.1671 3.1671 3.7269 3.7269 3.7581 3.7581 7.8003 7.8003 7.8005 7.8005 8.7745 8.7745 8.7977 8.7977 k = 0.0897 0.5000-0.0000 ( 5276 PWs) bands (ev): -35.7306 -35.7306 -35.7306 -35.7306 -16.9848 -16.9848 -16.9847 -16.9847 -16.6279 -16.6279 -16.6249 -16.6249 -16.5801 -16.5801 -16.5773 -16.5773 -7.3437 -7.3437 -7.3435 -7.3435 0.7974 0.7974 0.8027 0.8027 1.9897 1.9897 1.9935 1.9935 3.1119 3.1119 3.1295 3.1295 3.7054 3.7054 3.7402 3.7402 7.8123 7.8123 7.8123 7.8123 8.7828 8.7828 8.8093 8.8093 k = 0.1026 0.5000-0.0000 ( 5284 PWs) bands (ev): -35.7305 -35.7305 -35.7305 -35.7305 -16.9850 -16.9850 -16.9848 -16.9848 -16.6279 -16.6279 -16.6245 -16.6245 -16.5811 -16.5811 -16.5780 -16.5780 -7.3391 -7.3391 -7.3388 -7.3388 0.8079 0.8079 0.8141 0.8141 1.9985 1.9985 2.0025 2.0025 3.0680 3.0680 3.0866 3.0866 3.6827 3.6827 3.7206 3.7206 7.8254 7.8254 7.8254 7.8254 8.7930 8.7930 8.8225 8.8225 k = 0.1154 0.5000-0.0000 ( 5276 PWs) bands (ev): -35.7305 -35.7305 -35.7305 -35.7305 -16.9852 -16.9852 -16.9850 -16.9850 -16.6279 -16.6279 -16.6241 -16.6241 -16.5823 -16.5823 -16.5787 -16.5787 -7.3340 -7.3340 -7.3337 -7.3337 0.8195 0.8195 0.8267 0.8267 2.0083 2.0083 2.0124 2.0124 3.0197 3.0197 3.0388 3.0388 3.6592 3.6592 3.6997 3.6997 7.8394 7.8394 7.8396 7.8396 8.8049 8.8049 8.8375 8.8375 k = 0.1282 0.5000-0.0000 ( 5272 PWs) bands (ev): -35.7304 -35.7304 -35.7304 -35.7304 -16.9853 -16.9853 -16.9851 -16.9851 -16.6279 -16.6279 -16.6237 -16.6237 -16.5835 -16.5835 -16.5795 -16.5795 -7.3284 -7.3284 -7.3280 -7.3280 0.8322 0.8322 0.8405 0.8405 2.0191 2.0191 2.0232 2.0232 2.9675 2.9675 2.9869 2.9869 3.6351 3.6351 3.6776 3.6776 7.8539 7.8539 7.8543 7.8543 8.8187 8.8187 8.8542 8.8542 k = 0.1410 0.5000-0.0000 ( 5276 PWs) bands (ev): -35.7303 -35.7303 -35.7303 -35.7303 -16.9856 -16.9856 -16.9854 -16.9854 -16.6279 -16.6279 -16.6232 -16.6232 -16.5848 -16.5848 -16.5803 -16.5803 -7.3222 -7.3222 -7.3218 -7.3218 0.8459 0.8459 0.8552 0.8552 2.0310 2.0310 2.0347 2.0347 2.9122 2.9122 2.9316 2.9316 3.6106 3.6106 3.6546 3.6546 7.8686 7.8686 7.8692 7.8692 8.8343 8.8343 8.8726 8.8726 k = 0.1538 0.5000-0.0000 ( 5268 PWs) bands (ev): -35.7302 -35.7302 -35.7302 -35.7302 -16.9858 -16.9858 -16.9856 -16.9856 -16.6279 -16.6279 -16.6227 -16.6227 -16.5861 -16.5861 -16.5813 -16.5813 -7.3157 -7.3157 -7.3152 -7.3152 0.8603 0.8603 0.8709 0.8709 2.0437 2.0437 2.0467 2.0467 2.8545 2.8545 2.8738 2.8738 3.5857 3.5857 3.6309 3.6309 7.8828 7.8828 7.8838 7.8838 8.8518 8.8518 8.8928 8.8928 k = 0.1667 0.5000-0.0000 ( 5276 PWs) bands (ev): -35.7301 -35.7301 -35.7301 -35.7301 -16.9861 -16.9861 -16.9858 -16.9858 -16.6279 -16.6279 -16.6223 -16.6223 -16.5876 -16.5876 -16.5823 -16.5823 -7.3087 -7.3087 -7.3082 -7.3082 0.8753 0.8753 0.8873 0.8873 2.0570 2.0570 2.0590 2.0590 2.7951 2.7951 2.8145 2.8145 3.5604 3.5604 3.6065 3.6065 7.8960 7.8960 7.8975 7.8975 8.8712 8.8712 8.9147 8.9147 k = 0.1795 0.5000-0.0000 ( 5268 PWs) bands (ev): -35.7300 -35.7300 -35.7300 -35.7300 -16.9863 -16.9863 -16.9861 -16.9861 -16.6279 -16.6279 -16.6218 -16.6218 -16.5890 -16.5890 -16.5833 -16.5833 -7.3013 -7.3013 -7.3009 -7.3009 0.8909 0.8909 0.9043 0.9043 2.0709 2.0709 2.0712 2.0712 2.7349 2.7349 2.7547 2.7547 3.5348 3.5348 3.5815 3.5815 7.9076 7.9076 7.9096 7.9096 8.8926 8.8926 8.9385 8.9385 k = 0.1923 0.5000-0.0000 ( 5264 PWs) bands (ev): -35.7299 -35.7299 -35.7299 -35.7299 -16.9866 -16.9866 -16.9864 -16.9864 -16.6278 -16.6278 -16.6213 -16.6213 -16.5905 -16.5905 -16.5844 -16.5844 -7.2937 -7.2937 -7.2932 -7.2932 0.9067 0.9067 0.9217 0.9217 2.0827 2.0827 2.0850 2.0850 2.6750 2.6750 2.6957 2.6957 3.5089 3.5089 3.5560 3.5560 7.9166 7.9166 7.9193 7.9193 8.9159 8.9159 8.9639 8.9639 k = 0.2051 0.5000-0.0000 ( 5268 PWs) bands (ev): -35.7298 -35.7298 -35.7298 -35.7298 -16.9869 -16.9869 -16.9867 -16.9867 -16.6278 -16.6278 -16.6208 -16.6208 -16.5921 -16.5921 -16.5855 -16.5855 -7.2857 -7.2857 -7.2852 -7.2852 0.9226 0.9226 0.9393 0.9393 2.0929 2.0929 2.0988 2.0988 2.6163 2.6163 2.6390 2.6390 3.4825 3.4825 3.5300 3.5300 7.9224 7.9224 7.9258 7.9258 8.9410 8.9410 8.9910 8.9910 k = 0.2179 0.5000-0.0000 ( 5264 PWs) bands (ev): -35.7297 -35.7297 -35.7297 -35.7297 -16.9872 -16.9872 -16.9870 -16.9870 -16.6278 -16.6278 -16.6203 -16.6203 -16.5937 -16.5937 -16.5866 -16.5866 -7.2775 -7.2775 -7.2770 -7.2770 0.9385 0.9385 0.9570 0.9570 2.1006 2.1006 2.1115 2.1115 2.5602 2.5602 2.5861 2.5861 3.4559 3.4559 3.5036 3.5036 7.9241 7.9241 7.9283 7.9283 8.9680 8.9680 9.0197 9.0197 k = 0.2308 0.5000-0.0000 ( 5270 PWs) bands (ev): -35.7296 -35.7296 -35.7296 -35.7296 -16.9876 -16.9876 -16.9873 -16.9873 -16.6277 -16.6277 -16.6198 -16.6198 -16.5953 -16.5953 -16.5877 -16.5877 -7.2692 -7.2692 -7.2686 -7.2686 0.9540 0.9540 0.9744 0.9744 2.1045 2.1045 2.1220 2.1220 2.5084 2.5084 2.5391 2.5391 3.4289 3.4289 3.4768 3.4768 7.9208 7.9208 7.9259 7.9259 8.9967 8.9967 9.0498 9.0498 k = 0.2436 0.5000-0.0000 ( 5254 PWs) bands (ev): -35.7294 -35.7294 -35.7294 -35.7294 -16.9879 -16.9879 -16.9876 -16.9876 -16.6277 -16.6277 -16.6193 -16.6193 -16.5968 -16.5968 -16.5888 -16.5888 -7.2607 -7.2607 -7.2601 -7.2601 0.9690 0.9690 0.9913 0.9913 2.1026 2.1026 2.1287 2.1287 2.4631 2.4631 2.5004 2.5004 3.4016 3.4016 3.4496 3.4496 7.9120 7.9120 7.9180 7.9180 9.0269 9.0269 9.0810 9.0810 k = 0.2564 0.5000-0.0000 ( 5250 PWs) bands (ev): -35.7293 -35.7293 -35.7293 -35.7293 -16.9882 -16.9882 -16.9880 -16.9880 -16.6276 -16.6276 -16.6189 -16.6189 -16.5983 -16.5983 -16.5899 -16.5899 -7.2521 -7.2521 -7.2515 -7.2515 0.9832 0.9832 1.0076 1.0076 2.0935 2.0935 2.1289 2.1289 2.4273 2.4273 2.4720 2.4720 3.3739 3.3739 3.4221 3.4221 7.8972 7.8972 7.9040 7.9040 9.0583 9.0583 9.1129 9.1129 k = 0.2692 0.5000-0.0000 ( 5258 PWs) bands (ev): -35.7292 -35.7292 -35.7292 -35.7292 -16.9886 -16.9886 -16.9883 -16.9883 -16.6276 -16.6276 -16.6184 -16.6184 -16.5998 -16.5998 -16.5911 -16.5911 -7.2435 -7.2435 -7.2429 -7.2429 0.9964 0.9964 1.0228 1.0228 2.0764 2.0764 2.1205 2.1205 2.4037 2.4037 2.4553 2.4553 3.3460 3.3460 3.3943 3.3943 7.8762 7.8762 7.8838 7.8838 9.0904 9.0904 9.1447 9.1447 k = 0.2821 0.5000-0.0000 ( 5250 PWs) bands (ev): -35.7291 -35.7291 -35.7291 -35.7291 -16.9889 -16.9889 -16.9887 -16.9887 -16.6276 -16.6276 -16.6180 -16.6180 -16.6013 -16.6013 -16.5921 -16.5921 -7.2349 -7.2349 -7.2344 -7.2344 1.0083 1.0083 1.0367 1.0367 2.0521 2.0521 2.1026 2.1026 2.3933 2.3933 2.4495 2.4495 3.3180 3.3180 3.3663 3.3663 7.8493 7.8493 7.8576 7.8576 9.1227 9.1227 9.1759 9.1759 k = 0.2949 0.5000-0.0000 ( 5240 PWs) bands (ev): -35.7290 -35.7290 -35.7290 -35.7290 -16.9893 -16.9893 -16.9890 -16.9890 -16.6275 -16.6275 -16.6176 -16.6176 -16.6027 -16.6027 -16.5932 -16.5932 -7.2265 -7.2265 -7.2259 -7.2259 1.0187 1.0187 1.0491 1.0491 2.0231 2.0231 2.0772 2.0772 2.3946 2.3946 2.4531 2.4531 3.2897 3.2897 3.3381 3.3381 7.8170 7.8170 7.8258 7.8258 9.1549 9.1549 9.2062 9.2062 k = 0.3077 0.5000-0.0000 ( 5252 PWs) bands (ev): -35.7289 -35.7289 -35.7289 -35.7289 -16.9896 -16.9896 -16.9894 -16.9894 -16.6275 -16.6275 -16.6174 -16.6174 -16.6040 -16.6040 -16.5942 -16.5942 -7.2181 -7.2181 -7.2176 -7.2176 1.0276 1.0276 1.0595 1.0595 1.9916 1.9916 2.0475 2.0475 2.4047 2.4047 2.4636 2.4636 3.2613 3.2613 3.3099 3.3099 7.7801 7.7801 7.7892 7.7892 9.1866 9.1866 9.2359 9.2359 k = 0.3205 0.5000-0.0000 ( 5252 PWs) bands (ev): -35.7288 -35.7288 -35.7288 -35.7288 -16.9900 -16.9900 -16.9898 -16.9898 -16.6274 -16.6274 -16.6172 -16.6172 -16.6051 -16.6051 -16.5952 -16.5952 -7.2100 -7.2100 -7.2095 -7.2095 1.0346 1.0346 1.0679 1.0679 1.9600 1.9600 2.0164 2.0164 2.4206 2.4206 2.4793 2.4793 3.2329 3.2329 3.2816 3.2816 7.7395 7.7395 7.7488 7.7488 9.2182 9.2182 9.2658 9.2658 k = 0.3333 0.5000-0.0000 ( 5256 PWs) bands (ev): -35.7287 -35.7287 -35.7287 -35.7287 -16.9903 -16.9903 -16.9901 -16.9901 -16.6274 -16.6274 -16.6171 -16.6171 -16.6061 -16.6061 -16.5961 -16.5961 -7.2022 -7.2022 -7.2017 -7.2017 1.0397 1.0397 1.0740 1.0740 1.9300 1.9300 1.9860 1.9860 2.4405 2.4405 2.4986 2.4986 3.2045 3.2045 3.2533 3.2533 7.6965 7.6965 7.7057 7.7057 9.2501 9.2501 9.2966 9.2966 k = 0.3462 0.5000-0.0000 ( 5256 PWs) bands (ev): -35.7286 -35.7286 -35.7286 -35.7286 -16.9907 -16.9907 -16.9905 -16.9905 -16.6274 -16.6274 -16.6172 -16.6172 -16.6069 -16.6069 -16.5971 -16.5971 -7.1947 -7.1947 -7.1942 -7.1942 1.0430 1.0430 1.0777 1.0777 1.9025 1.9025 1.9576 1.9576 2.4631 2.4631 2.5205 2.5205 3.1762 3.1762 3.2251 3.2251 7.6520 7.6520 7.6610 7.6610 9.2827 9.2827 9.3287 9.3287 k = 0.3590 0.5000-0.0000 ( 5264 PWs) bands (ev): -35.7285 -35.7285 -35.7285 -35.7285 -16.9910 -16.9910 -16.9908 -16.9908 -16.6273 -16.6273 -16.6175 -16.6175 -16.6075 -16.6075 -16.5979 -16.5979 -7.1875 -7.1875 -7.1870 -7.1870 1.0445 1.0445 1.0790 1.0790 1.8784 1.8784 1.9318 1.9318 2.4874 2.4874 2.5441 2.5441 3.1480 3.1480 3.1970 3.1970 7.6072 7.6072 7.6159 7.6159 9.3160 9.3160 9.3621 9.3621 k = 0.3718 0.5000-0.0000 ( 5268 PWs) bands (ev): -35.7284 -35.7284 -35.7284 -35.7284 -16.9913 -16.9913 -16.9911 -16.9911 -16.6272 -16.6272 -16.6179 -16.6179 -16.6078 -16.6078 -16.5988 -16.5988 -7.1808 -7.1808 -7.1803 -7.1803 1.0443 1.0443 1.0780 1.0780 1.8580 1.8580 1.9091 1.9091 2.5128 2.5128 2.5689 2.5689 3.1201 3.1201 3.1692 3.1692 7.5630 7.5630 7.5713 7.5713 9.3502 9.3502 9.3966 9.3966 k = 0.3846 0.5000-0.0000 ( 5276 PWs) bands (ev): -35.7283 -35.7283 -35.7283 -35.7283 -16.9916 -16.9916 -16.9914 -16.9914 -16.6271 -16.6271 -16.6185 -16.6185 -16.6080 -16.6080 -16.5996 -16.5996 -7.1745 -7.1745 -7.1741 -7.1741 1.0428 1.0428 1.0749 1.0749 1.8412 1.8412 1.8893 1.8893 2.5391 2.5391 2.5944 2.5944 3.0926 3.0926 3.1416 3.1416 7.5205 7.5205 7.5281 7.5281 9.3850 9.3850 9.4317 9.4318 k = 0.3974 0.5000-0.0000 ( 5280 PWs) bands (ev): -35.7283 -35.7283 -35.7283 -35.7283 -16.9919 -16.9919 -16.9917 -16.9917 -16.6270 -16.6270 -16.6191 -16.6191 -16.6080 -16.6080 -16.6003 -16.6003 -7.1687 -7.1687 -7.1684 -7.1684 1.0402 1.0402 1.0702 1.0702 1.8281 1.8281 1.8726 1.8726 2.5657 2.5657 2.6201 2.6201 3.0656 3.0656 3.1144 3.1144 7.4803 7.4803 7.4873 7.4873 9.4201 9.4201 9.4669 9.4669 k = 0.4103 0.5000-0.0000 ( 5292 PWs) bands (ev): -35.7282 -35.7282 -35.7282 -35.7282 -16.9921 -16.9921 -16.9920 -16.9920 -16.6269 -16.6269 -16.6199 -16.6199 -16.6079 -16.6079 -16.6011 -16.6011 -7.1636 -7.1636 -7.1632 -7.1632 1.0369 1.0369 1.0643 1.0643 1.8183 1.8183 1.8585 1.8585 2.5924 2.5924 2.6456 2.6456 3.0394 3.0394 3.0876 3.0876 7.4432 7.4432 7.4495 7.4495 9.4550 9.4550 9.5013 9.5013 k = 0.4231 0.5000-0.0000 ( 5292 PWs) bands (ev): -35.7282 -35.7282 -35.7282 -35.7282 -16.9923 -16.9923 -16.9922 -16.9922 -16.6267 -16.6267 -16.6206 -16.6206 -16.6076 -16.6076 -16.6017 -16.6017 -7.1590 -7.1590 -7.1587 -7.1587 1.0334 1.0334 1.0576 1.0576 1.8114 1.8114 1.8467 1.8467 2.6190 2.6190 2.6705 2.6705 3.0142 3.0142 3.0613 3.0613 7.4099 7.4099 7.4155 7.4155 9.4892 9.4892 9.5341 9.5342 k = 0.4359 0.5000-0.0000 ( 5290 PWs) bands (ev): -35.7281 -35.7281 -35.7281 -35.7281 -16.9925 -16.9925 -16.9924 -16.9924 -16.6265 -16.6265 -16.6214 -16.6214 -16.6073 -16.6073 -16.6024 -16.6024 -7.1550 -7.1550 -7.1548 -7.1548 1.0300 1.0300 1.0507 1.0507 1.8070 1.8070 1.8370 1.8370 2.6451 2.6451 2.6941 2.6941 2.9904 2.9904 3.0358 3.0358 7.3809 7.3809 7.3856 7.3856 9.5219 9.5219 9.5643 9.5643 k = 0.4487 0.5000-0.0000 ( 5274 PWs) bands (ev): -35.7281 -35.7281 -35.7281 -35.7281 -16.9926 -16.9926 -16.9925 -16.9925 -16.6262 -16.6262 -16.6221 -16.6221 -16.6069 -16.6069 -16.6029 -16.6029 -7.1518 -7.1518 -7.1516 -7.1516 1.0271 1.0271 1.0439 1.0439 1.8046 1.8046 1.8291 1.8291 2.6702 2.6702 2.7155 2.7155 2.9690 2.9690 3.0114 3.0114 7.3567 7.3567 7.3605 7.3605 9.5525 9.5525 9.5906 9.5906 k = 0.4615 0.5000-0.0000 ( 5270 PWs) bands (ev): -35.7280 -35.7280 -35.7280 -35.7280 -16.9927 -16.9927 -16.9927 -16.9927 -16.6258 -16.6258 -16.6228 -16.6228 -16.6065 -16.6065 -16.6035 -16.6035 -7.1492 -7.1492 -7.1490 -7.1490 1.0249 1.0249 1.0377 1.0377 1.8039 1.8039 1.8225 1.8225 2.6940 2.6940 2.7334 2.7334 2.9512 2.9512 2.9883 2.9883 7.3376 7.3376 7.3405 7.3405 9.5799 9.5799 9.6116 9.6116 k = 0.4744 0.5000-0.0000 ( 5276 PWs) bands (ev): -35.7280 -35.7280 -35.7280 -35.7280 -16.9928 -16.9928 -16.9928 -16.9928 -16.6255 -16.6255 -16.6234 -16.6234 -16.6061 -16.6061 -16.6041 -16.6041 -7.1473 -7.1473 -7.1472 -7.1472 1.0238 1.0238 1.0324 1.0324 1.8046 1.8046 1.8170 1.8170 2.7155 2.7155 2.7456 2.7456 2.9389 2.9389 2.9675 2.9675 7.3239 7.3239 7.3258 7.3258 9.6028 9.6028 9.6258 9.6258 k = 0.4872 0.5000-0.0000 ( 5272 PWs) bands (ev): -35.7280 -35.7280 -35.7280 -35.7280 -16.9929 -16.9929 -16.9928 -16.9928 -16.6250 -16.6250 -16.6240 -16.6240 -16.6056 -16.6056 -16.6046 -16.6046 -7.1462 -7.1462 -7.1461 -7.1461 1.0240 1.0240 1.0283 1.0283 1.8063 1.8063 1.8126 1.8126 2.7333 2.7333 2.7501 2.7501 2.9343 2.9343 2.9502 2.9502 7.3157 7.3157 7.3167 7.3167 9.6199 9.6199 9.6321 9.6321 k = 0.5000 0.5000-0.0000 ( 5272 PWs) bands (ev): -35.7280 -35.7280 -35.7280 -35.7280 -16.9929 -16.9929 -16.9929 -16.9929 -16.6245 -16.6245 -16.6245 -16.6245 -16.6051 -16.6051 -16.6051 -16.6051 -7.1458 -7.1458 -7.1458 -7.1458 1.0254 1.0254 1.0254 1.0254 1.8090 1.8090 1.8090 1.8090 2.7456 2.7456 2.7456 2.7456 2.9384 2.9384 2.9384 2.9384 7.3133 7.3133 7.3133 7.3133 9.6300 9.6300 9.6300 9.6300 k = 0.5000 0.5000-0.0000 ( 5272 PWs) bands (ev): -35.7280 -35.7280 -35.7280 -35.7280 -16.9929 -16.9929 -16.9929 -16.9929 -16.6245 -16.6245 -16.6245 -16.6245 -16.6051 -16.6051 -16.6051 -16.6051 -7.1458 -7.1458 -7.1458 -7.1458 1.0254 1.0254 1.0254 1.0254 1.8090 1.8090 1.8090 1.8090 2.7456 2.7456 2.7456 2.7456 2.9384 2.9384 2.9384 2.9384 7.3133 7.3133 7.3133 7.3133 9.6300 9.6300 9.6300 9.6300 k = 0.4909 0.4909-0.0000 ( 5272 PWs) bands (ev): -35.7280 -35.7280 -35.7280 -35.7280 -16.9929 -16.9929 -16.9928 -16.9928 -16.6250 -16.6250 -16.6240 -16.6240 -16.6056 -16.6056 -16.6046 -16.6046 -7.1463 -7.1463 -7.1460 -7.1460 1.0240 1.0240 1.0283 1.0283 1.8063 1.8063 1.8126 1.8126 2.7320 2.7320 2.7515 2.7515 2.9335 2.9335 2.9509 2.9509 7.3157 7.3157 7.3168 7.3168 9.6197 9.6197 9.6322 9.6322 k = 0.4818 0.4818-0.0000 ( 5276 PWs) bands (ev): -35.7280 -35.7280 -35.7280 -35.7280 -16.9929 -16.9929 -16.9928 -16.9928 -16.6255 -16.6255 -16.6234 -16.6234 -16.6061 -16.6061 -16.6041 -16.6041 -7.1479 -7.1479 -7.1467 -7.1467 1.0239 1.0239 1.0325 1.0325 1.8043 1.8043 1.8172 1.8172 2.7078 2.7078 2.7552 2.7552 2.9335 2.9335 2.9710 2.9710 7.3236 7.3236 7.3262 7.3262 9.6014 9.6014 9.6269 9.6269 k = 0.4727 0.4727-0.0000 ( 5270 PWs) bands (ev): -35.7280 -35.7280 -35.7280 -35.7280 -16.9928 -16.9928 -16.9926 -16.9926 -16.6258 -16.6258 -16.6227 -16.6227 -16.6065 -16.6065 -16.6035 -16.6035 -7.1505 -7.1505 -7.1478 -7.1478 1.0252 1.0252 1.0380 1.0380 1.8030 1.8030 1.8229 1.8229 2.6748 2.6748 2.7594 2.7594 2.9364 2.9364 2.9962 2.9962 7.3368 7.3368 7.3415 7.3415 9.5753 9.5753 9.6155 9.6155 k = 0.4636 0.4636-0.0000 ( 5274 PWs) bands (ev): -35.7281 -35.7281 -35.7280 -35.7280 -16.9928 -16.9928 -16.9924 -16.9924 -16.6261 -16.6261 -16.6221 -16.6221 -16.6069 -16.6069 -16.6029 -16.6029 -7.1541 -7.1541 -7.1494 -7.1494 1.0280 1.0280 1.0449 1.0449 1.8023 1.8023 1.8298 1.8298 2.6360 2.6360 2.7646 2.7646 2.9414 2.9414 3.0241 3.0241 7.3550 7.3550 7.3628 7.3628 9.5420 9.5420 9.6003 9.6003 k = 0.4545 0.4545-0.0000 ( 5276 PWs) bands (ev): -35.7282 -35.7282 -35.7280 -35.7280 -16.9927 -16.9927 -16.9922 -16.9922 -16.6264 -16.6264 -16.6213 -16.6213 -16.6073 -16.6073 -16.6023 -16.6023 -7.1588 -7.1588 -7.1514 -7.1514 1.0322 1.0322 1.0530 1.0530 1.8022 1.8022 1.8380 1.8380 2.5930 2.5930 2.7712 2.7712 2.9481 2.9481 3.0530 3.0530 7.3777 7.3777 7.3899 7.3899 9.5023 9.5023 9.5834 9.5834 k = 0.4455 0.4455-0.0000 ( 5292 PWs) bands (ev): -35.7282 -35.7282 -35.7281 -35.7281 -16.9926 -16.9926 -16.9919 -16.9919 -16.6266 -16.6266 -16.6206 -16.6206 -16.6077 -16.6077 -16.6017 -16.6017 -7.1645 -7.1645 -7.1539 -7.1539 1.0380 1.0380 1.0623 1.0623 1.8027 1.8027 1.8476 1.8476 2.5469 2.5469 2.7790 2.7790 2.9565 2.9565 3.0821 3.0821 7.4047 7.4047 7.4224 7.4224 9.4573 9.4573 9.5668 9.5668 k = 0.4364 0.4364-0.0000 ( 5286 PWs) bands (ev): -35.7283 -35.7283 -35.7281 -35.7281 -16.9925 -16.9925 -16.9915 -16.9915 -16.6267 -16.6267 -16.6197 -16.6197 -16.6080 -16.6080 -16.6011 -16.6011 -7.1711 -7.1711 -7.1568 -7.1568 1.0452 1.0452 1.0728 1.0728 1.8038 1.8038 1.8585 1.8585 2.4984 2.4984 2.7881 2.7881 2.9664 2.9664 3.1111 3.1111 7.4354 7.4354 7.4600 7.4600 9.4083 9.4083 9.5519 9.5519 k = 0.4273 0.4273-0.0000 ( 5286 PWs) bands (ev): -35.7284 -35.7284 -35.7281 -35.7281 -16.9924 -16.9924 -16.9911 -16.9911 -16.6268 -16.6268 -16.6189 -16.6189 -16.6083 -16.6083 -16.6004 -16.6004 -7.1788 -7.1788 -7.1602 -7.1602 1.0539 1.0539 1.0844 1.0844 1.8057 1.8057 1.8708 1.8708 2.4481 2.4481 2.7984 2.7984 2.9779 2.9779 3.1396 3.1396 7.4692 7.4692 7.5024 7.5024 9.3564 9.3564 9.5399 9.5399 k = 0.4182 0.4182-0.0000 ( 5286 PWs) bands (ev): -35.7285 -35.7285 -35.7282 -35.7282 -16.9923 -16.9923 -16.9906 -16.9906 -16.6268 -16.6268 -16.6180 -16.6180 -16.6086 -16.6086 -16.5997 -16.5997 -7.1874 -7.1874 -7.1640 -7.1640 1.0642 1.0642 1.0971 1.0971 1.8084 1.8084 1.8845 1.8845 2.3964 2.3964 2.8099 2.8099 2.9909 2.9909 3.1675 3.1675 7.5056 7.5056 7.5490 7.5490 9.3025 9.3025 9.5313 9.5313 k = 0.4091 0.4091-0.0000 ( 5278 PWs) bands (ev): -35.7287 -35.7287 -35.7282 -35.7282 -16.9921 -16.9921 -16.9901 -16.9901 -16.6267 -16.6267 -16.6172 -16.6172 -16.6087 -16.6087 -16.5989 -16.5989 -7.1969 -7.1969 -7.1683 -7.1683 1.0760 1.0760 1.1107 1.1107 1.8120 1.8120 1.8993 1.8993 2.3437 2.3437 2.8225 2.8225 3.0054 3.0054 3.1947 3.1947 7.5441 7.5441 7.5992 7.5992 9.2474 9.2474 9.5263 9.5263 k = 0.4000 0.4000-0.0000 ( 5274 PWs) bands (ev): -35.7288 -35.7288 -35.7283 -35.7283 -16.9920 -16.9920 -16.9895 -16.9895 -16.6266 -16.6266 -16.6163 -16.6163 -16.6088 -16.6088 -16.5982 -16.5982 -7.2073 -7.2073 -7.1730 -7.1730 1.0893 1.0893 1.1252 1.1252 1.8167 1.8167 1.9151 1.9151 2.2907 2.2907 2.8362 2.8362 3.0213 3.0213 3.2213 3.2213 7.5841 7.5841 7.6523 7.6523 9.1917 9.1917 9.5238 9.5238 k = 0.3909 0.3909-0.0000 ( 5274 PWs) bands (ev): -35.7289 -35.7289 -35.7283 -35.7283 -16.9918 -16.9918 -16.9889 -16.9889 -16.6265 -16.6265 -16.6155 -16.6155 -16.6088 -16.6088 -16.5974 -16.5974 -7.2186 -7.2186 -7.1782 -7.1782 1.1043 1.1043 1.1404 1.1404 1.8226 1.8226 1.9314 1.9314 2.2382 2.2382 2.8508 2.8508 3.0386 3.0386 3.2471 3.2471 7.6252 7.6252 7.7075 7.7075 9.1358 9.1358 9.5123 9.5124 k = 0.3818 0.3818-0.0000 ( 5278 PWs) bands (ev): -35.7291 -35.7291 -35.7284 -35.7284 -16.9916 -16.9916 -16.9882 -16.9882 -16.6263 -16.6263 -16.6149 -16.6149 -16.6086 -16.6086 -16.5966 -16.5966 -7.2308 -7.2308 -7.1838 -7.1838 1.1208 1.1208 1.1562 1.1562 1.8297 1.8297 1.9471 1.9471 2.1876 2.1876 2.8663 2.8663 3.0573 3.0573 3.2721 3.2721 7.6667 7.6667 7.7636 7.7636 9.0800 9.0800 9.4719 9.4719 k = 0.3727 0.3727-0.0000 ( 5274 PWs) bands (ev): -35.7293 -35.7293 -35.7284 -35.7284 -16.9914 -16.9914 -16.9875 -16.9875 -16.6260 -16.6260 -16.6143 -16.6143 -16.6082 -16.6082 -16.5957 -16.5957 -7.2437 -7.2437 -7.1898 -7.1898 1.1387 1.1387 1.1724 1.1724 1.8382 1.8382 1.9596 1.9596 2.1421 2.1421 2.8827 2.8827 3.0774 3.0774 3.2963 3.2963 7.7085 7.7085 7.8196 7.8196 9.0245 9.0245 9.4296 9.4296 k = 0.3636 0.3636-0.0000 ( 5270 PWs) bands (ev): -35.7294 -35.7294 -35.7285 -35.7285 -16.9912 -16.9912 -16.9867 -16.9867 -16.6257 -16.6257 -16.6139 -16.6139 -16.6076 -16.6076 -16.5949 -16.5949 -7.2574 -7.2574 -7.1963 -7.1963 1.1580 1.1580 1.1888 1.1888 1.8480 1.8480 1.9626 1.9626 2.1085 2.1085 2.8997 2.8997 3.0987 3.0987 3.3196 3.3196 7.7503 7.7503 7.8740 7.8740 8.9694 8.9694 9.3946 9.3946 k = 0.3545 0.3545-0.0000 ( 5262 PWs) bands (ev): -35.7296 -35.7296 -35.7285 -35.7285 -16.9910 -16.9910 -16.9859 -16.9859 -16.6254 -16.6254 -16.6137 -16.6137 -16.6067 -16.6067 -16.5940 -16.5940 -7.2719 -7.2719 -7.2033 -7.2033 1.1784 1.1784 1.2053 1.2053 1.8586 1.8586 1.9479 1.9479 2.0962 2.0962 2.9174 2.9174 3.1212 3.1212 3.3420 3.3420 7.7920 7.7920 7.9253 7.9253 8.9150 8.9150 9.3695 9.3695 k = 0.3455 0.3455-0.0000 ( 5262 PWs) bands (ev): -35.7298 -35.7298 -35.7286 -35.7286 -16.9908 -16.9908 -16.9850 -16.9850 -16.6250 -16.6250 -16.6135 -16.6135 -16.6057 -16.6057 -16.5931 -16.5931 -7.2870 -7.2870 -7.2106 -7.2106 1.1989 1.1989 1.2224 1.2224 1.8675 1.8675 1.9196 1.9196 2.1044 2.1044 2.9355 2.9355 3.1450 3.1450 3.3635 3.3635 7.8334 7.8334 7.9719 7.9719 8.8614 8.8614 9.3559 9.3559 k = 0.3364 0.3364-0.0000 ( 5256 PWs) bands (ev): -35.7300 -35.7300 -35.7287 -35.7287 -16.9906 -16.9906 -16.9841 -16.9841 -16.6247 -16.6247 -16.6134 -16.6134 -16.6046 -16.6046 -16.5921 -16.5921 -7.3028 -7.3028 -7.2183 -7.2183 1.2175 1.2175 1.2415 1.2415 1.8571 1.8571 1.9051 1.9051 2.1243 2.1243 2.9541 2.9541 3.1698 3.1698 3.3841 3.3841 7.8747 7.8747 8.0124 8.0124 8.8089 8.8089 9.3549 9.3549 k = 0.3273 0.3273-0.0000 ( 5260 PWs) bands (ev): -35.7302 -35.7302 -35.7287 -35.7287 -16.9903 -16.9903 -16.9832 -16.9832 -16.6243 -16.6243 -16.6133 -16.6133 -16.6034 -16.6034 -16.5912 -16.5912 -7.3191 -7.3191 -7.2265 -7.2265 1.2312 1.2312 1.2643 1.2643 1.8222 1.8222 1.9164 1.9164 2.1501 2.1501 2.9730 2.9730 3.1957 3.1957 3.4037 3.4037 7.9159 7.9159 8.0457 8.0457 8.7578 8.7578 9.3304 9.3317 k = 0.3182 0.3182-0.0000 ( 5256 PWs) bands (ev): -35.7305 -35.7305 -35.7288 -35.7288 -16.9901 -16.9901 -16.9822 -16.9822 -16.6239 -16.6239 -16.6131 -16.6131 -16.6021 -16.6021 -16.5902 -16.5902 -7.3360 -7.3360 -7.2350 -7.2350 1.2391 1.2391 1.2906 1.2906 1.7851 1.7851 1.9348 1.9348 2.1796 2.1796 2.9921 2.9921 3.2225 3.2225 3.4224 3.4224 7.9572 7.9572 8.0712 8.0712 8.7085 8.7085 9.2696 9.2696 k = 0.3091 0.3091-0.0000 ( 5266 PWs) bands (ev): -35.7307 -35.7307 -35.7289 -35.7289 -16.9898 -16.9898 -16.9813 -16.9813 -16.6236 -16.6236 -16.6129 -16.6129 -16.6007 -16.6007 -16.5893 -16.5893 -7.3534 -7.3534 -7.2438 -7.2438 1.2409 1.2409 1.3194 1.3194 1.7522 1.7522 1.9565 1.9565 2.2116 2.2116 3.0113 3.0113 3.2501 3.2501 3.4401 3.4401 7.9987 7.9987 8.0889 8.0889 8.6612 8.6612 9.2082 9.2082 k = 0.3000 0.3000-0.0000 ( 5270 PWs) bands (ev): -35.7309 -35.7309 -35.7290 -35.7290 -16.9896 -16.9896 -16.9803 -16.9803 -16.6233 -16.6233 -16.6127 -16.6127 -16.5993 -16.5993 -16.5883 -16.5883 -7.3712 -7.3712 -7.2530 -7.2530 1.2356 1.2356 1.3502 1.3502 1.7264 1.7264 1.9808 1.9808 2.2456 2.2456 3.0306 3.0306 3.2784 3.2784 3.4571 3.4571 8.0407 8.0407 8.0995 8.0995 8.6163 8.6163 9.1460 9.1460 k = 0.2909 0.2909-0.0000 ( 5268 PWs) bands (ev): -35.7312 -35.7312 -35.7291 -35.7291 -16.9893 -16.9893 -16.9792 -16.9792 -16.6231 -16.6231 -16.6123 -16.6123 -16.5979 -16.5979 -16.5872 -16.5872 -7.3894 -7.3894 -7.2626 -7.2626 1.2224 1.2224 1.3827 1.3827 1.7091 1.7091 2.0074 2.0074 2.2815 2.2815 3.0497 3.0497 3.3072 3.3072 3.4732 3.4732 8.0828 8.0828 8.1045 8.1045 8.5742 8.5742 9.0831 9.0831 k = 0.2818 0.2818-0.0000 ( 5264 PWs) bands (ev): -35.7314 -35.7314 -35.7291 -35.7291 -16.9890 -16.9890 -16.9781 -16.9781 -16.6229 -16.6229 -16.6118 -16.6118 -16.5965 -16.5965 -16.5862 -16.5862 -7.4079 -7.4079 -7.2723 -7.2723 1.2011 1.2011 1.4167 1.4167 1.7009 1.7009 2.0364 2.0364 2.3188 2.3188 3.0687 3.0687 3.3364 3.3364 3.4887 3.4887 8.1020 8.1020 8.1281 8.1281 8.5350 8.5350 9.0195 9.0195 k = 0.2727 0.2727-0.0000 ( 5262 PWs) bands (ev): -35.7316 -35.7316 -35.7292 -35.7292 -16.9888 -16.9888 -16.9770 -16.9770 -16.6227 -16.6227 -16.6113 -16.6113 -16.5950 -16.5950 -16.5851 -16.5851 -7.4267 -7.4267 -7.2824 -7.2824 1.1725 1.1725 1.4522 1.4522 1.7013 1.7013 2.0677 2.0677 2.3575 2.3575 3.0874 3.0874 3.3656 3.3656 3.5038 3.5038 8.0982 8.0982 8.1718 8.1718 8.4991 8.4991 8.9551 8.9551 k = 0.2636 0.2636-0.0000 ( 5270 PWs) bands (ev): -35.7319 -35.7319 -35.7293 -35.7293 -16.9885 -16.9885 -16.9759 -16.9759 -16.6227 -16.6227 -16.6106 -16.6106 -16.5936 -16.5936 -16.5841 -16.5841 -7.4456 -7.4456 -7.2927 -7.2927 1.1380 1.1380 1.4890 1.4890 1.7091 1.7091 2.1011 2.1011 2.3975 2.3975 3.1058 3.1058 3.3945 3.3945 3.5187 3.5187 8.0912 8.0912 8.2169 8.2169 8.4667 8.4667 8.8899 8.8899 k = 0.2545 0.2545-0.0000 ( 5274 PWs) bands (ev): -35.7321 -35.7321 -35.7294 -35.7294 -16.9882 -16.9882 -16.9749 -16.9749 -16.6226 -16.6226 -16.6099 -16.6099 -16.5921 -16.5921 -16.5830 -16.5830 -7.4647 -7.4647 -7.3031 -7.3031 1.0989 1.0989 1.5270 1.5270 1.7230 1.7230 2.1366 2.1366 2.4385 2.4385 3.1238 3.1238 3.4226 3.4226 3.5339 3.5339 8.0824 8.0824 8.2628 8.2628 8.4380 8.4380 8.8239 8.8239 k = 0.2455 0.2455-0.0000 ( 5274 PWs) bands (ev): -35.7324 -35.7324 -35.7295 -35.7295 -16.9880 -16.9880 -16.9737 -16.9737 -16.6226 -16.6226 -16.6091 -16.6091 -16.5907 -16.5907 -16.5818 -16.5818 -7.4838 -7.4838 -7.3138 -7.3138 1.0569 1.0569 1.5661 1.5661 1.7417 1.7417 2.1741 2.1741 2.4805 2.4805 3.1413 3.1413 3.4491 3.4491 3.5500 3.5500 8.0726 8.0726 8.3095 8.3095 8.4134 8.4134 8.7572 8.7572 k = 0.2364 0.2364-0.0000 ( 5272 PWs) bands (ev): -35.7326 -35.7326 -35.7296 -35.7296 -16.9877 -16.9877 -16.9726 -16.9726 -16.6227 -16.6227 -16.6082 -16.6082 -16.5893 -16.5893 -16.5807 -16.5807 -7.5030 -7.5030 -7.3245 -7.3245 1.0129 1.0129 1.6062 1.6062 1.7640 1.7640 2.2135 2.2135 2.5233 2.5233 3.1584 3.1584 3.4733 3.4733 3.5679 3.5679 8.0621 8.0621 8.3562 8.3562 8.3936 8.3936 8.6899 8.6899 k = 0.2273 0.2273-0.0000 ( 5280 PWs) bands (ev): -35.7329 -35.7329 -35.7296 -35.7296 -16.9874 -16.9874 -16.9715 -16.9715 -16.6228 -16.6228 -16.6073 -16.6073 -16.5880 -16.5880 -16.5795 -16.5795 -7.5221 -7.5221 -7.3353 -7.3353 0.9679 0.9679 1.6471 1.6471 1.7892 1.7892 2.2547 2.2547 2.5667 2.5667 3.1750 3.1750 3.4944 3.4944 3.5881 3.5881 8.0514 8.0514 8.3747 8.3747 8.4068 8.4068 8.6219 8.6219 k = 0.2182 0.2182-0.0000 ( 5268 PWs) bands (ev): -35.7331 -35.7331 -35.7297 -35.7297 -16.9872 -16.9872 -16.9704 -16.9704 -16.6228 -16.6228 -16.6062 -16.6062 -16.5867 -16.5867 -16.5782 -16.5782 -7.5410 -7.5410 -7.3462 -7.3462 0.9226 0.9226 1.6888 1.6888 1.8167 1.8167 2.2974 2.2974 2.6105 2.6105 3.1911 3.1911 3.5121 3.5121 3.6108 3.6108 8.0407 8.0407 8.3641 8.3641 8.4541 8.4541 8.5534 8.5534 k = 0.2091 0.2091-0.0000 ( 5268 PWs) bands (ev): -35.7333 -35.7333 -35.7298 -35.7298 -16.9869 -16.9869 -16.9692 -16.9692 -16.6229 -16.6229 -16.6052 -16.6052 -16.5855 -16.5855 -16.5770 -16.5770 -7.5598 -7.5598 -7.3571 -7.3571 0.8775 0.8775 1.7310 1.7310 1.8458 1.8458 2.3417 2.3417 2.6546 2.6546 3.2067 3.2067 3.5267 3.5267 3.6357 3.6357 8.0301 8.0301 8.3573 8.3573 8.4837 8.4837 8.5030 8.5030 k = 0.2000 0.2000-0.0000 ( 5274 PWs) bands (ev): -35.7336 -35.7336 -35.7299 -35.7299 -16.9866 -16.9866 -16.9681 -16.9681 -16.6231 -16.6231 -16.6041 -16.6041 -16.5843 -16.5843 -16.5757 -16.5757 -7.5783 -7.5783 -7.3679 -7.3679 0.8329 0.8329 1.7737 1.7737 1.8763 1.8763 2.3873 2.3873 2.6987 2.6987 3.2218 3.2218 3.5391 3.5391 3.6619 3.6619 8.0197 8.0197 8.3552 8.3552 8.4150 8.4150 8.5503 8.5503 k = 0.1909 0.1909-0.0000 ( 5254 PWs) bands (ev): -35.7338 -35.7338 -35.7300 -35.7300 -16.9863 -16.9863 -16.9670 -16.9670 -16.6231 -16.6231 -16.6030 -16.6030 -16.5832 -16.5832 -16.5743 -16.5743 -7.5965 -7.5965 -7.3786 -7.3786 0.7892 0.7892 1.8167 1.8167 1.9077 1.9077 2.4340 2.4340 2.7426 2.7426 3.2365 3.2365 3.5499 3.5499 3.6887 3.6887 8.0096 8.0096 8.3451 8.3451 8.3583 8.3583 8.5976 8.5976 k = 0.1818 0.1818-0.0000 ( 5264 PWs) bands (ev): -35.7340 -35.7340 -35.7301 -35.7301 -16.9861 -16.9861 -16.9660 -16.9660 -16.6233 -16.6233 -16.6020 -16.6020 -16.5822 -16.5822 -16.5730 -16.5730 -7.6144 -7.6144 -7.3892 -7.3892 0.7466 0.7466 1.8597 1.8597 1.9397 1.9397 2.4817 2.4817 2.7861 2.7861 3.2508 3.2508 3.5596 3.5596 3.7154 3.7154 7.9998 7.9998 8.2762 8.2762 8.3650 8.3650 8.6439 8.6439 k = 0.1727 0.1727-0.0000 ( 5272 PWs) bands (ev): -35.7342 -35.7342 -35.7301 -35.7301 -16.9859 -16.9859 -16.9649 -16.9649 -16.6234 -16.6234 -16.6009 -16.6009 -16.5813 -16.5813 -16.5717 -16.5717 -7.6318 -7.6318 -7.3997 -7.3997 0.7054 0.7054 1.9027 1.9027 1.9722 1.9722 2.5300 2.5300 2.8288 2.8288 3.2648 3.2648 3.5689 3.5689 3.7415 3.7415 7.9903 7.9903 8.2075 8.2075 8.3764 8.3764 8.6885 8.6885 k = 0.1636 0.1636-0.0000 ( 5284 PWs) bands (ev): -35.7345 -35.7345 -35.7302 -35.7302 -16.9857 -16.9857 -16.9640 -16.9640 -16.6235 -16.6235 -16.5998 -16.5998 -16.5804 -16.5804 -16.5704 -16.5704 -7.6487 -7.6487 -7.4099 -7.4099 0.6656 0.6656 1.9454 1.9454 2.0048 2.0048 2.5789 2.5789 2.8706 2.8706 3.2784 3.2784 3.5779 3.5779 3.7666 3.7666 7.9809 7.9809 8.1396 8.1396 8.3919 8.3919 8.7302 8.7302 k = 0.1545 0.1545-0.0000 ( 5278 PWs) bands (ev): -35.7347 -35.7347 -35.7303 -35.7303 -16.9854 -16.9854 -16.9630 -16.9630 -16.6236 -16.6236 -16.5987 -16.5987 -16.5795 -16.5795 -16.5691 -16.5691 -7.6650 -7.6650 -7.4198 -7.4198 0.6274 0.6274 1.9877 1.9877 2.0374 2.0374 2.6281 2.6281 2.9110 2.9110 3.2918 3.2918 3.5872 3.5872 3.7902 3.7902 7.9709 7.9709 8.0738 8.0738 8.4111 8.4111 8.7530 8.7530 k = 0.1455 0.1455-0.0000 ( 5286 PWs) bands (ev): -35.7349 -35.7349 -35.7304 -35.7304 -16.9852 -16.9852 -16.9620 -16.9620 -16.6237 -16.6237 -16.5977 -16.5977 -16.5788 -16.5788 -16.5678 -16.5678 -7.6808 -7.6808 -7.4295 -7.4295 0.5910 0.5910 2.0291 2.0291 2.0696 2.0696 2.6772 2.6772 2.9500 2.9500 3.3049 3.3049 3.5969 3.5969 3.8122 3.8122 7.9564 7.9564 8.0144 8.0144 8.4335 8.4335 8.7313 8.7313 k = 0.1364 0.1364-0.0000 ( 5288 PWs) bands (ev): -35.7351 -35.7351 -35.7304 -35.7304 -16.9850 -16.9850 -16.9611 -16.9611 -16.6238 -16.6238 -16.5966 -16.5966 -16.5781 -16.5781 -16.5665 -16.5665 -7.6958 -7.6958 -7.4388 -7.4388 0.5564 0.5564 2.0696 2.0696 2.1014 2.1014 2.7260 2.7260 2.9873 2.9873 3.3178 3.3178 3.6072 3.6072 3.8323 3.8323 7.9201 7.9201 7.9789 7.9789 8.4589 8.4589 8.7074 8.7074 k = 0.1273 0.1273-0.0000 ( 5291 PWs) bands (ev): -35.7352 -35.7352 -35.7305 -35.7305 -16.9848 -16.9848 -16.9603 -16.9603 -16.6239 -16.6239 -16.5956 -16.5956 -16.5775 -16.5775 -16.5653 -16.5653 -7.7102 -7.7102 -7.4477 -7.4477 0.5237 0.5237 2.1086 2.1086 2.1328 2.1328 2.7740 2.7740 3.0226 3.0226 3.3302 3.3302 3.6185 3.6185 3.8502 3.8502 7.8633 7.8633 7.9664 7.9664 8.4865 8.4865 8.6867 8.6867 k = 0.1182 0.1182-0.0000 ( 5291 PWs) bands (ev): -35.7354 -35.7354 -35.7306 -35.7306 -16.9846 -16.9846 -16.9595 -16.9595 -16.6239 -16.6239 -16.5947 -16.5947 -16.5769 -16.5769 -16.5641 -16.5641 -7.7238 -7.7238 -7.4562 -7.4562 0.4930 0.4930 2.1454 2.1454 2.1639 2.1639 2.8209 2.8209 3.0561 3.0561 3.3422 3.3422 3.6309 3.6309 3.8658 3.8658 7.8033 7.8033 7.9599 7.9599 8.5161 8.5161 8.6699 8.6699 k = 0.1091 0.1091-0.0000 ( 5275 PWs) bands (ev): -35.7356 -35.7356 -35.7306 -35.7306 -16.9844 -16.9844 -16.9587 -16.9587 -16.6240 -16.6240 -16.5937 -16.5937 -16.5763 -16.5763 -16.5629 -16.5629 -7.7366 -7.7366 -7.4643 -7.4643 0.4643 0.4643 2.1790 2.1790 2.1955 2.1955 2.8661 2.8661 3.0878 3.0878 3.3535 3.3535 3.6444 3.6444 3.8789 3.8789 7.7445 7.7445 7.9555 7.9555 8.5471 8.5471 8.6576 8.6576 k = 0.1000 0.1000-0.0000 ( 5277 PWs) bands (ev): -35.7357 -35.7357 -35.7307 -35.7307 -16.9842 -16.9842 -16.9579 -16.9579 -16.6240 -16.6240 -16.5928 -16.5928 -16.5759 -16.5759 -16.5618 -16.5618 -7.7485 -7.7485 -7.4718 -7.4718 0.4377 0.4377 2.2087 2.2087 2.2277 2.2277 2.9091 2.9091 3.1179 3.1179 3.3641 3.3641 3.6590 3.6590 3.8896 3.8896 7.6879 7.6879 7.9525 7.9525 8.5789 8.5789 8.6501 8.6501 k = 0.0909 0.0909-0.0000 ( 5285 PWs) bands (ev): -35.7359 -35.7359 -35.7307 -35.7307 -16.9841 -16.9841 -16.9573 -16.9573 -16.6241 -16.6241 -16.5920 -16.5920 -16.5755 -16.5755 -16.5608 -16.5608 -7.7596 -7.7596 -7.4788 -7.4788 0.4134 0.4134 2.2351 2.2351 2.2596 2.2596 2.9492 2.9492 3.1467 3.1467 3.3737 3.3737 3.6745 3.6745 3.8976 3.8976 7.6341 7.6341 7.9504 7.9504 8.6106 8.6106 8.6479 8.6479 k = 0.0818 0.0818-0.0000 ( 5275 PWs) bands (ev): -35.7360 -35.7360 -35.7308 -35.7308 -16.9839 -16.9839 -16.9566 -16.9566 -16.6241 -16.6241 -16.5912 -16.5912 -16.5751 -16.5751 -16.5599 -16.5599 -7.7697 -7.7697 -7.4853 -7.4853 0.3912 0.3912 2.2588 2.2588 2.2899 2.2899 2.9858 2.9858 3.1745 3.1745 3.3823 3.3823 3.6907 3.6907 3.9032 3.9032 7.5839 7.5839 7.9491 7.9491 8.6401 8.6401 8.6529 8.6529 k = 0.0727 0.0727-0.0000 ( 5273 PWs) bands (ev): -35.7361 -35.7361 -35.7308 -35.7308 -16.9838 -16.9838 -16.9561 -16.9561 -16.6241 -16.6241 -16.5905 -16.5905 -16.5747 -16.5747 -16.5590 -16.5590 -7.7788 -7.7788 -7.4911 -7.4911 0.3712 0.3712 2.2802 2.2802 2.3181 2.3181 3.0184 3.0184 3.2015 3.2015 3.3899 3.3899 3.7072 3.7072 3.9064 3.9064 7.5374 7.5374 7.9485 7.9485 8.6556 8.6556 8.6765 8.6765 k = 0.0636 0.0636-0.0000 ( 5269 PWs) bands (ev): -35.7362 -35.7362 -35.7308 -35.7308 -16.9837 -16.9837 -16.9556 -16.9556 -16.6242 -16.6242 -16.5898 -16.5898 -16.5744 -16.5744 -16.5582 -16.5582 -7.7869 -7.7869 -7.4963 -7.4963 0.3535 0.3535 2.2992 2.2992 2.3438 2.3438 3.0465 3.0465 3.2279 3.2279 3.3966 3.3966 3.7234 3.7234 3.9074 3.9074 7.4953 7.4953 7.9483 7.9483 8.6693 8.6693 8.7057 8.7057 k = 0.0545 0.0545-0.0000 ( 5257 PWs) bands (ev): -35.7363 -35.7363 -35.7309 -35.7309 -16.9836 -16.9836 -16.9551 -16.9551 -16.6242 -16.6242 -16.5892 -16.5892 -16.5742 -16.5742 -16.5575 -16.5575 -7.7940 -7.7940 -7.5009 -7.5009 0.3382 0.3382 2.3158 2.3158 2.3667 2.3667 3.0701 3.0701 3.2531 3.2531 3.4023 3.4023 3.7388 3.7388 3.9067 3.9067 7.4579 7.4579 7.9486 7.9486 8.6874 8.6874 8.7337 8.7337 k = 0.0455 0.0455-0.0000 ( 5249 PWs) bands (ev): -35.7363 -35.7363 -35.7309 -35.7309 -16.9835 -16.9835 -16.9547 -16.9547 -16.6242 -16.6242 -16.5887 -16.5887 -16.5740 -16.5740 -16.5569 -16.5569 -7.8001 -7.8001 -7.5048 -7.5048 0.3251 0.3251 2.3300 2.3300 2.3865 2.3865 3.0892 3.0892 3.2766 3.2766 3.4073 3.4073 3.7528 3.7528 3.9046 3.9046 7.4255 7.4255 7.9491 7.9491 8.7099 8.7099 8.7593 8.7593 k = 0.0364 0.0364-0.0000 ( 5261 PWs) bands (ev): -35.7364 -35.7364 -35.7309 -35.7309 -16.9834 -16.9834 -16.9544 -16.9544 -16.6242 -16.6242 -16.5883 -16.5883 -16.5739 -16.5739 -16.5565 -16.5565 -7.8051 -7.8051 -7.5080 -7.5080 0.3144 0.3144 2.3417 2.3417 2.4029 2.4029 3.1042 3.1042 3.2974 3.2974 3.4116 3.4116 3.7651 3.7651 3.9016 3.9016 7.3984 7.3984 7.9497 7.9497 8.7357 8.7357 8.7820 8.7820 k = 0.0273 0.0273-0.0000 ( 5269 PWs) bands (ev): -35.7365 -35.7365 -35.7309 -35.7309 -16.9834 -16.9834 -16.9542 -16.9542 -16.6242 -16.6242 -16.5880 -16.5880 -16.5738 -16.5738 -16.5561 -16.5561 -7.8090 -7.8090 -7.5105 -7.5105 0.3061 0.3061 2.3508 2.3508 2.4159 2.4159 3.1154 3.1154 3.3146 3.3146 3.4153 3.4153 3.7751 3.7751 3.8984 3.8984 7.3771 7.3771 7.9503 7.9503 8.7630 8.7630 8.8015 8.8015 k = 0.0182 0.0182-0.0000 ( 5269 PWs) bands (ev): -35.7365 -35.7365 -35.7309 -35.7309 -16.9834 -16.9834 -16.9540 -16.9540 -16.6243 -16.6243 -16.5878 -16.5878 -16.5737 -16.5737 -16.5558 -16.5558 -7.8118 -7.8118 -7.5123 -7.5123 0.3001 0.3001 2.3574 2.3574 2.4253 2.4253 3.1232 3.1232 3.3273 3.3273 3.4183 3.4183 3.7825 3.7825 3.8955 3.8955 7.3616 7.3616 7.9508 7.9508 8.7881 8.7881 8.8176 8.8176 k = 0.0091 0.0091-0.0000 ( 5265 PWs) bands (ev): -35.7365 -35.7365 -35.7310 -35.7310 -16.9833 -16.9833 -16.9539 -16.9539 -16.6243 -16.6243 -16.5876 -16.5876 -16.5737 -16.5737 -16.5557 -16.5557 -7.8135 -7.8135 -7.5134 -7.5134 0.2965 0.2965 2.3613 2.3613 2.4310 2.4310 3.1278 3.1278 3.3350 3.3350 3.4203 3.4203 3.7871 3.7871 3.8936 3.8936 7.3523 7.3523 7.9512 7.9512 8.8052 8.8052 8.8303 8.8303 k = 0.0000 0.0000 0.0000 ( 5273 PWs) bands (ev): -35.7365 -35.7365 -35.7310 -35.7310 -16.9833 -16.9833 -16.9539 -16.9539 -16.6243 -16.6243 -16.5876 -16.5876 -16.5737 -16.5737 -16.5556 -16.5556 -7.8140 -7.8140 -7.5138 -7.5138 0.2953 0.2953 2.3626 2.3626 2.4329 2.4329 3.1293 3.1293 3.3376 3.3376 3.4210 3.4210 3.7886 3.7886 3.8929 3.8929 7.3492 7.3492 7.9513 7.9513 8.8109 8.8109 8.8359 8.8359 k = 0.0000 0.0000 0.0000 ( 5273 PWs) bands (ev): -35.7365 -35.7365 -35.7310 -35.7310 -16.9833 -16.9833 -16.9539 -16.9539 -16.6243 -16.6243 -16.5876 -16.5876 -16.5737 -16.5737 -16.5556 -16.5556 -7.8140 -7.8140 -7.5138 -7.5138 0.2953 0.2953 2.3626 2.3626 2.4329 2.4329 3.1293 3.1293 3.3376 3.3376 3.4210 3.4210 3.7886 3.7886 3.8929 3.8929 7.3492 7.3492 7.9513 7.9513 8.8109 8.8109 8.8359 8.8359 k = 0.0000 0.0000 0.0126 ( 5281 PWs) bands (ev): -35.7365 -35.7365 -35.7310 -35.7310 -16.9833 -16.9833 -16.9539 -16.9539 -16.6243 -16.6243 -16.5876 -16.5876 -16.5737 -16.5737 -16.5557 -16.5557 -7.8139 -7.8139 -7.5139 -7.5139 0.2969 0.2969 2.3262 2.3262 2.4646 2.4646 3.1227 3.1227 3.3493 3.3493 3.4209 3.4209 3.7887 3.7887 3.8929 3.8929 7.3485 7.3485 7.9528 7.9528 8.8107 8.8107 8.8358 8.8358 k = 0.0000 0.0000 0.0253 ( 5277 PWs) bands (ev): -35.7365 -35.7365 -35.7310 -35.7310 -16.9834 -16.9834 -16.9539 -16.9539 -16.6243 -16.6243 -16.5876 -16.5876 -16.5737 -16.5737 -16.5556 -16.5556 -7.8135 -7.8135 -7.5144 -7.5144 0.3017 0.3017 2.2647 2.2647 2.5121 2.5121 3.1062 3.1062 3.3807 3.3807 3.4207 3.4207 3.7890 3.7890 3.8930 3.8930 7.3466 7.3466 7.9574 7.9574 8.8103 8.8103 8.8356 8.8356 k = 0.0000 0.0000 0.0379 ( 5277 PWs) bands (ev): -35.7365 -35.7365 -35.7310 -35.7310 -16.9833 -16.9833 -16.9539 -16.9539 -16.6243 -16.6243 -16.5876 -16.5876 -16.5737 -16.5737 -16.5556 -16.5556 -7.8129 -7.8129 -7.5151 -7.5151 0.3096 0.3096 2.1971 2.1971 2.5572 2.5572 3.0856 3.0856 3.4203 3.4203 3.4255 3.4255 3.7894 3.7894 3.8931 3.8931 7.3435 7.3435 7.9649 7.9649 8.8093 8.8093 8.8354 8.8354 k = 0.0000 0.0000 0.0506 ( 5277 PWs) bands (ev): -35.7365 -35.7365 -35.7310 -35.7310 -16.9833 -16.9833 -16.9539 -16.9539 -16.6242 -16.6242 -16.5876 -16.5876 -16.5737 -16.5737 -16.5556 -16.5556 -7.8121 -7.8121 -7.5160 -7.5160 0.3206 0.3206 2.1262 2.1262 2.5979 2.5979 3.0643 3.0643 3.4198 3.4198 3.4791 3.4791 3.7901 3.7901 3.8932 3.8932 7.3392 7.3392 7.9753 7.9753 8.8069 8.8069 8.8350 8.8350 k = 0.0000 0.0000 0.0632 ( 5293 PWs) bands (ev): -35.7365 -35.7365 -35.7310 -35.7310 -16.9834 -16.9834 -16.9539 -16.9539 -16.6243 -16.6243 -16.5877 -16.5877 -16.5737 -16.5737 -16.5557 -16.5557 -7.8111 -7.8111 -7.5172 -7.5172 0.3346 0.3346 2.0534 2.0534 2.6339 2.6339 3.0439 3.0439 3.4192 3.4192 3.5385 3.5385 3.7908 3.7908 3.8934 3.8934 7.3341 7.3341 7.9884 7.9884 8.7910 8.7910 8.8252 8.8254 k = 0.0000 0.0000 0.0759 ( 5281 PWs) bands (ev): -35.7365 -35.7365 -35.7310 -35.7310 -16.9833 -16.9833 -16.9539 -16.9539 -16.6242 -16.6242 -16.5877 -16.5877 -16.5736 -16.5736 -16.5556 -16.5556 -7.8099 -7.8099 -7.5186 -7.5186 0.3514 0.3514 1.9798 1.9798 2.6657 2.6657 3.0249 3.0249 3.4184 3.4184 3.6018 3.6018 3.7917 3.7917 3.8936 3.8936 7.3282 7.3282 8.0039 8.0039 8.7324 8.7324 8.8139 8.8146 k = 0.0000 0.0000 0.0885 ( 5301 PWs) bands (ev): -35.7365 -35.7365 -35.7310 -35.7310 -16.9834 -16.9834 -16.9540 -16.9540 -16.6243 -16.6243 -16.5877 -16.5877 -16.5737 -16.5737 -16.5557 -16.5557 -7.8085 -7.8085 -7.5201 -7.5201 0.3708 0.3708 1.9061 1.9061 2.6935 2.6935 3.0074 3.0074 3.4176 3.4176 3.6672 3.6672 3.7927 3.7927 3.8938 3.8938 7.3217 7.3217 8.0215 8.0215 8.6633 8.6633 8.8116 8.8120 k = 0.0000 0.0000 0.1012 ( 5293 PWs) bands (ev): -35.7365 -35.7365 -35.7310 -35.7310 -16.9833 -16.9833 -16.9540 -16.9540 -16.6242 -16.6242 -16.5877 -16.5877 -16.5736 -16.5736 -16.5557 -16.5557 -7.8071 -7.8071 -7.5217 -7.5217 0.3926 0.3926 1.8333 1.8333 2.7180 2.7180 2.9915 2.9915 3.4168 3.4168 3.7331 3.7331 3.7938 3.7938 3.8941 3.8941 7.3149 7.3149 8.0404 8.0404 8.5937 8.5937 8.8103 8.8108 k = 0.0000 0.0000 0.1138 ( 5308 PWs) bands (ev): -35.7366 -35.7366 -35.7310 -35.7310 -16.9833 -16.9833 -16.9540 -16.9540 -16.6242 -16.6242 -16.5878 -16.5878 -16.5737 -16.5737 -16.5557 -16.5557 -7.8056 -7.8056 -7.5235 -7.5235 0.4166 0.4166 1.7621 1.7621 2.7395 2.7395 2.9769 2.9769 3.4159 3.4159 3.7948 3.7948 3.7982 3.7982 3.8943 3.8943 7.3080 7.3080 8.0600 8.0600 8.5269 8.5269 8.8093 8.8106 k = 0.0000 0.0000 0.1265 ( 5300 PWs) bands (ev): -35.7365 -35.7365 -35.7310 -35.7310 -16.9833 -16.9833 -16.9540 -16.9540 -16.6242 -16.6242 -16.5878 -16.5878 -16.5736 -16.5736 -16.5557 -16.5557 -7.8040 -7.8040 -7.5252 -7.5252 0.4422 0.4422 1.6934 1.6934 2.7585 2.7585 2.9635 2.9635 3.4150 3.4150 3.7959 3.7959 3.8610 3.8610 3.8946 3.8946 7.3012 7.3012 8.0788 8.0788 8.4656 8.4656 8.8088 8.8092 k = 0.0000 0.0000 0.1391 ( 5304 PWs) bands (ev): -35.7365 -35.7365 -35.7310 -35.7310 -16.9833 -16.9833 -16.9541 -16.9541 -16.6242 -16.6242 -16.5878 -16.5878 -16.5736 -16.5736 -16.5557 -16.5557 -7.8025 -7.8025 -7.5269 -7.5269 0.4689 0.4689 1.6279 1.6279 2.7754 2.7754 2.9512 2.9512 3.4142 3.4142 3.7969 3.7969 3.8948 3.8948 3.9202 3.9202 7.2946 7.2946 8.0946 8.0946 8.4127 8.4127 8.8080 8.8132 k = 0.0000 0.0000 0.1518 ( 5308 PWs) bands (ev): -35.7366 -35.7366 -35.7310 -35.7310 -16.9833 -16.9833 -16.9541 -16.9541 -16.6242 -16.6242 -16.5879 -16.5879 -16.5736 -16.5736 -16.5557 -16.5557 -7.8011 -7.8011 -7.5285 -7.5285 0.4961 0.4961 1.5667 1.5667 2.7904 2.7904 2.9398 2.9398 3.4134 3.4134 3.7979 3.7979 3.8951 3.8951 3.9747 3.9747 7.2886 7.2886 8.1044 8.1044 8.3722 8.3722 8.8090 8.8143 k = 0.0000 0.0000 0.1644 ( 5304 PWs) bands (ev): -35.7365 -35.7365 -35.7310 -35.7310 -16.9833 -16.9833 -16.9541 -16.9541 -16.6242 -16.6242 -16.5879 -16.5879 -16.5736 -16.5736 -16.5557 -16.5557 -7.7998 -7.7998 -7.5300 -7.5300 0.5228 0.5228 1.5108 1.5108 2.8037 2.8037 2.9294 2.9294 3.4127 3.4127 3.7987 3.7987 3.8953 3.8953 4.0231 4.0231 7.2831 7.2831 8.1050 8.1050 8.3475 8.3475 8.8065 8.8119 k = 0.0000 0.0000 0.1771 ( 5288 PWs) bands (ev): -35.7365 -35.7365 -35.7310 -35.7310 -16.9833 -16.9833 -16.9540 -16.9540 -16.6241 -16.6241 -16.5878 -16.5878 -16.5736 -16.5736 -16.5556 -16.5556 -7.7987 -7.7987 -7.5313 -7.5313 0.5480 0.5480 1.4617 1.4617 2.8155 2.8155 2.9199 2.9199 3.4121 3.4121 3.7995 3.7995 3.8955 3.8955 4.0645 4.0645 7.2786 7.2786 8.0963 8.0963 8.3389 8.3389 8.8062 8.8075 k = 0.0000 0.0000 0.1897 ( 5276 PWs) bands (ev): -35.7365 -35.7365 -35.7310 -35.7310 -16.9832 -16.9832 -16.9540 -16.9540 -16.6241 -16.6241 -16.5879 -16.5879 -16.5736 -16.5736 -16.5556 -16.5556 -7.7977 -7.7977 -7.5323 -7.5323 0.5700 0.5700 1.4208 1.4208 2.8257 2.8257 2.9114 2.9114 3.4116 3.4116 3.8001 3.8001 3.8957 3.8957 4.0978 4.0978 7.2749 7.2749 8.0822 8.0822 8.3416 8.3416 8.8056 8.8064 k = 0.0000 0.0000 0.2024 ( 5300 PWs) bands (ev): -35.7366 -35.7366 -35.7310 -35.7310 -16.9832 -16.9832 -16.9542 -16.9542 -16.6241 -16.6241 -16.5880 -16.5880 -16.5736 -16.5736 -16.5557 -16.5557 -7.7971 -7.7971 -7.5331 -7.5331 0.5875 0.5875 1.3898 1.3898 2.8340 2.8340 2.9042 2.9042 3.4113 3.4113 3.8005 3.8005 3.8958 3.8958 4.1222 4.1222 7.2721 7.2721 8.0683 8.0683 8.3491 8.3491 8.8087 8.8248 k = 0.0000 0.0000 0.2150 ( 5300 PWs) bands (ev): -35.7366 -35.7366 -35.7310 -35.7310 -16.9832 -16.9832 -16.9542 -16.9542 -16.6241 -16.6241 -16.5880 -16.5880 -16.5736 -16.5736 -16.5557 -16.5557 -7.7966 -7.7966 -7.5336 -7.5336 0.5987 0.5987 1.3704 1.3704 2.8397 2.8397 2.8992 2.8992 3.4110 3.4110 3.8008 3.8008 3.8959 3.8959 4.1371 4.1371 7.2704 7.2704 8.0585 8.0585 8.3560 8.3560 8.8089 8.8092 k = 0.0000 0.0000 0.2277 ( 5300 PWs) bands (ev): -35.7366 -35.7366 -35.7310 -35.7310 -16.9832 -16.9832 -16.9542 -16.9542 -16.6241 -16.6241 -16.5880 -16.5880 -16.5736 -16.5736 -16.5557 -16.5557 -7.7965 -7.7965 -7.5337 -7.5337 0.6026 0.6026 1.3638 1.3638 2.8418 2.8418 2.8973 2.8973 3.4110 3.4110 3.8009 3.8009 3.8959 3.8959 4.1422 4.1422 7.2699 7.2699 8.0550 8.0550 8.3587 8.3587 8.8037 8.8037 k = 0.0000 0.0000 0.2277 ( 5300 PWs) bands (ev): -35.7366 -35.7366 -35.7310 -35.7310 -16.9832 -16.9832 -16.9542 -16.9542 -16.6241 -16.6241 -16.5880 -16.5880 -16.5736 -16.5736 -16.5557 -16.5557 -7.7965 -7.7965 -7.5337 -7.5337 0.6026 0.6026 1.3638 1.3638 2.8418 2.8418 2.8973 2.8973 3.4110 3.4110 3.8009 3.8009 3.8959 3.8959 4.1422 4.1422 7.2699 7.2699 8.0550 8.0550 8.3587 8.3587 8.8037 8.8037 k = 0.0000 0.0128 0.2277 ( 5300 PWs) bands (ev): -35.7366 -35.7366 -35.7310 -35.7310 -16.9832 -16.9832 -16.9542 -16.9542 -16.6240 -16.6240 -16.5880 -16.5880 -16.5736 -16.5736 -16.5558 -16.5558 -7.7960 -7.7960 -7.5334 -7.5334 0.6032 0.6032 1.3646 1.3646 2.8402 2.8402 2.8950 2.8950 3.4088 3.4088 3.7927 3.7927 3.9004 3.9004 4.1417 4.1417 7.2731 7.2731 8.0590 8.0590 8.3607 8.3607 8.7608 8.7608 k = 0.0000 0.0256 0.2277 ( 5304 PWs) bands (ev): -35.7365 -35.7365 -35.7310 -35.7310 -16.9832 -16.9832 -16.9543 -16.9543 -16.6240 -16.6240 -16.5882 -16.5882 -16.5737 -16.5737 -16.5559 -16.5559 -7.7943 -7.7943 -7.5322 -7.5322 0.6050 0.6050 1.3670 1.3670 2.8353 2.8353 2.8881 2.8881 3.4023 3.4023 3.7719 3.7719 3.9103 3.9103 4.1403 4.1403 7.2828 7.2828 8.0706 8.0706 8.3667 8.3667 8.7107 8.7108 k = 0.0000 0.0385 0.2277 ( 5306 PWs) bands (ev): -35.7365 -35.7365 -35.7309 -35.7309 -16.9833 -16.9833 -16.9545 -16.9545 -16.6241 -16.6241 -16.5884 -16.5884 -16.5737 -16.5737 -16.5562 -16.5562 -7.7917 -7.7917 -7.5303 -7.5303 0.6080 0.6080 1.3709 1.3709 2.8270 2.8270 2.8763 2.8763 3.3920 3.3920 3.7435 3.7435 3.9211 3.9211 4.1381 4.1381 7.2986 7.2986 8.0894 8.0894 8.3766 8.3766 8.6584 8.6584 k = 0.0000 0.0513 0.2277 ( 5302 PWs) bands (ev): -35.7364 -35.7364 -35.7309 -35.7309 -16.9833 -16.9833 -16.9547 -16.9547 -16.6240 -16.6240 -16.5887 -16.5887 -16.5739 -16.5739 -16.5566 -16.5566 -7.7880 -7.7880 -7.5276 -7.5276 0.6121 0.6121 1.3764 1.3764 2.8150 2.8150 2.8595 2.8595 3.3788 3.3788 3.7108 3.7108 3.9303 3.9303 4.1348 4.1348 7.3200 7.3200 8.1144 8.1144 8.3906 8.3906 8.6052 8.6053 k = 0.0000 0.0641 0.2277 ( 5294 PWs) bands (ev): -35.7364 -35.7364 -35.7309 -35.7309 -16.9834 -16.9834 -16.9550 -16.9550 -16.6241 -16.6241 -16.5891 -16.5891 -16.5740 -16.5740 -16.5570 -16.5570 -7.7832 -7.7832 -7.5242 -7.5242 0.6172 0.6172 1.3833 1.3833 2.7987 2.7987 2.8374 2.8374 3.3634 3.3634 3.6756 3.6756 3.9370 3.9370 4.1307 4.1307 7.3464 7.3464 8.1444 8.1444 8.4084 8.4084 8.5527 8.5527 k = 0.0000 0.0769 0.2277 ( 5290 PWs) bands (ev): -35.7363 -35.7363 -35.7309 -35.7309 -16.9835 -16.9835 -16.9553 -16.9553 -16.6241 -16.6241 -16.5896 -16.5896 -16.5742 -16.5742 -16.5575 -16.5575 -7.7774 -7.7774 -7.5200 -7.5200 0.6233 0.6233 1.3916 1.3916 2.7778 2.7778 2.8099 2.8099 3.3471 3.3471 3.6394 3.6394 3.9409 3.9409 4.1255 4.1255 7.3771 7.3771 8.1778 8.1778 8.4297 8.4297 8.5024 8.5024 k = 0.0000 0.0897 0.2277 ( 5298 PWs) bands (ev): -35.7362 -35.7362 -35.7309 -35.7309 -16.9836 -16.9836 -16.9558 -16.9558 -16.6241 -16.6241 -16.5902 -16.5902 -16.5744 -16.5744 -16.5581 -16.5581 -7.7706 -7.7706 -7.5152 -7.5152 0.6303 0.6303 1.4012 1.4012 2.7513 2.7513 2.7776 2.7776 3.3308 3.3308 3.6033 3.6033 3.9419 3.9419 4.1193 4.1193 7.4111 7.4111 8.2127 8.2127 8.4445 8.4446 8.4662 8.4662 k = 0.0000 0.1026 0.2277 ( 5294 PWs) bands (ev): -35.7361 -35.7361 -35.7308 -35.7308 -16.9837 -16.9837 -16.9563 -16.9563 -16.6241 -16.6241 -16.5908 -16.5908 -16.5746 -16.5746 -16.5588 -16.5588 -7.7629 -7.7629 -7.5098 -7.5098 0.6381 0.6381 1.4119 1.4119 2.7175 2.7175 2.7418 2.7418 3.3155 3.3155 3.5684 3.5684 3.9401 3.9401 4.1122 4.1122 7.4478 7.4478 8.2451 8.2451 8.4111 8.4111 8.4890 8.4890 k = 0.0000 0.1154 0.2277 ( 5298 PWs) bands (ev): -35.7360 -35.7360 -35.7308 -35.7308 -16.9838 -16.9838 -16.9568 -16.9568 -16.6241 -16.6241 -16.5916 -16.5916 -16.5749 -16.5749 -16.5596 -16.5596 -7.7542 -7.7542 -7.5037 -7.5037 0.6464 0.6464 1.4237 1.4237 2.6747 2.6747 2.7047 2.7047 3.3019 3.3019 3.5353 3.5353 3.9354 3.9354 4.1041 4.1041 7.4865 7.4865 8.2659 8.2659 8.3865 8.3865 8.5223 8.5223 k = 0.0000 0.1282 0.2277 ( 5298 PWs) bands (ev): -35.7359 -35.7359 -35.7307 -35.7307 -16.9840 -16.9840 -16.9574 -16.9574 -16.6242 -16.6242 -16.5924 -16.5924 -16.5752 -16.5752 -16.5603 -16.5603 -7.7447 -7.7447 -7.4971 -7.4971 0.6551 0.6551 1.4363 1.4363 2.6236 2.6236 2.6664 2.6664 3.2905 3.2905 3.5047 3.5047 3.9279 3.9279 4.0950 4.0950 7.5263 7.5263 8.2610 8.2610 8.3909 8.3909 8.5597 8.5597 k = 0.0000 0.1410 0.2277 ( 5294 PWs) bands (ev): -35.7357 -35.7357 -35.7307 -35.7307 -16.9841 -16.9841 -16.9581 -16.9581 -16.6242 -16.6242 -16.5933 -16.5933 -16.5755 -16.5755 -16.5611 -16.5611 -7.7342 -7.7342 -7.4899 -7.4899 0.6641 0.6641 1.4494 1.4494 2.5659 2.5659 2.6266 2.6266 3.2815 3.2815 3.4767 3.4767 3.9176 3.9176 4.0850 4.0850 7.5669 7.5669 8.2365 8.2365 8.4181 8.4181 8.6006 8.6006 k = 0.0000 0.1538 0.2277 ( 5300 PWs) bands (ev): -35.7356 -35.7356 -35.7306 -35.7306 -16.9843 -16.9843 -16.9589 -16.9589 -16.6243 -16.6243 -16.5943 -16.5943 -16.5758 -16.5758 -16.5619 -16.5619 -7.7230 -7.7230 -7.4823 -7.4823 0.6730 0.6730 1.4627 1.4627 2.5032 2.5032 2.5855 2.5855 3.2750 3.2750 3.4513 3.4513 3.9045 3.9045 4.0742 4.0742 7.6076 7.6076 8.2068 8.2068 8.4537 8.4537 8.6061 8.6063 k = 0.0000 0.1667 0.2277 ( 5284 PWs) bands (ev): -35.7354 -35.7354 -35.7306 -35.7306 -16.9844 -16.9844 -16.9596 -16.9596 -16.6244 -16.6244 -16.5953 -16.5953 -16.5762 -16.5762 -16.5627 -16.5627 -7.7110 -7.7110 -7.4743 -7.4743 0.6817 0.6817 1.4759 1.4759 2.4367 2.4367 2.5440 2.5440 3.2708 3.2708 3.4284 3.4284 3.8887 3.8887 4.0625 4.0625 7.6483 7.6483 8.1777 8.1777 8.4920 8.4920 8.5865 8.5865 k = 0.0000 0.1795 0.2277 ( 5280 PWs) bands (ev): -35.7353 -35.7353 -35.7305 -35.7305 -16.9846 -16.9846 -16.9604 -16.9604 -16.6245 -16.6245 -16.5964 -16.5964 -16.5765 -16.5765 -16.5635 -16.5635 -7.6982 -7.6982 -7.4660 -7.4660 0.6899 0.6899 1.4884 1.4884 2.3679 2.3679 2.5030 2.5030 3.2687 3.2687 3.4077 3.4077 3.8702 3.8702 4.0499 4.0499 7.6884 7.6884 8.1511 8.1511 8.5310 8.5310 8.5686 8.5686 k = 0.0000 0.1923 0.2277 ( 5272 PWs) bands (ev): -35.7351 -35.7351 -35.7305 -35.7305 -16.9848 -16.9848 -16.9613 -16.9613 -16.6247 -16.6247 -16.5975 -16.5975 -16.5769 -16.5769 -16.5642 -16.5642 -7.6849 -7.6849 -7.4573 -7.4573 0.6972 0.6972 1.4994 1.4994 2.2983 2.2983 2.4637 2.4637 3.2686 3.2686 3.3889 3.3889 3.8491 3.8491 4.0365 4.0365 7.7280 7.7280 8.1276 8.1276 8.5519 8.5519 8.5708 8.5708 k = 0.0000 0.2051 0.2277 ( 5280 PWs) bands (ev): -35.7349 -35.7349 -35.7305 -35.7305 -16.9850 -16.9850 -16.9622 -16.9622 -16.6250 -16.6250 -16.5987 -16.5987 -16.5774 -16.5774 -16.5649 -16.5649 -7.6709 -7.6709 -7.4485 -7.4485 0.7033 0.7033 1.5079 1.5079 2.2296 2.2296 2.4270 2.4270 3.2700 3.2700 3.3716 3.3716 3.8254 3.8254 4.0222 4.0222 7.7668 7.7668 8.1075 8.1075 8.5378 8.5378 8.6100 8.6100 k = 0.0000 0.2179 0.2277 ( 5266 PWs) bands (ev): -35.7347 -35.7347 -35.7304 -35.7304 -16.9852 -16.9852 -16.9631 -16.9631 -16.6252 -16.6252 -16.6000 -16.6000 -16.5777 -16.5777 -16.5656 -16.5656 -7.6564 -7.6564 -7.4395 -7.4395 0.7081 0.7081 1.5128 1.5128 2.1636 2.1636 2.3940 2.3940 3.2728 3.2728 3.3555 3.3555 3.7993 3.7993 4.0071 4.0071 7.8048 7.8048 8.0909 8.0909 8.5256 8.5256 8.6492 8.6492 k = 0.0000 0.2308 0.2277 ( 5272 PWs) bands (ev): -35.7345 -35.7345 -35.7304 -35.7304 -16.9854 -16.9854 -16.9642 -16.9642 -16.6255 -16.6255 -16.6013 -16.6013 -16.5781 -16.5781 -16.5663 -16.5663 -7.6414 -7.6414 -7.4305 -7.4305 0.7112 0.7112 1.5124 1.5124 2.1027 2.1027 2.3654 2.3654 3.2766 3.2766 3.3405 3.3405 3.7710 3.7710 3.9910 3.9910 7.8417 7.8417 8.0776 8.0776 8.5155 8.5155 8.6883 8.6883 k = 0.0000 0.2436 0.2277 ( 5262 PWs) bands (ev): -35.7343 -35.7343 -35.7303 -35.7303 -16.9856 -16.9856 -16.9652 -16.9652 -16.6257 -16.6257 -16.6026 -16.6026 -16.5785 -16.5785 -16.5668 -16.5668 -7.6260 -7.6260 -7.4215 -7.4215 0.7123 0.7123 1.5045 1.5045 2.0494 2.0494 2.3421 2.3421 3.2805 3.2805 3.3270 3.3270 3.7407 3.7407 3.9741 3.9741 7.8775 7.8775 8.0674 8.0674 8.5078 8.5078 8.7274 8.7274 k = 0.0000 0.2564 0.2277 ( 5258 PWs) bands (ev): -35.7341 -35.7341 -35.7303 -35.7303 -16.9858 -16.9858 -16.9662 -16.9662 -16.6261 -16.6261 -16.6040 -16.6040 -16.5788 -16.5788 -16.5674 -16.5674 -7.6104 -7.6104 -7.4125 -7.4125 0.7114 0.7114 1.4874 1.4874 2.0063 2.0063 2.3244 2.3244 3.2826 3.2826 3.3163 3.3163 3.7085 3.7085 3.9563 3.9563 7.9120 7.9120 8.0602 8.0602 8.5025 8.5025 8.7663 8.7663 k = 0.0000 0.2692 0.2277 ( 5262 PWs) bands (ev): -35.7339 -35.7339 -35.7302 -35.7302 -16.9860 -16.9860 -16.9673 -16.9673 -16.6264 -16.6264 -16.6054 -16.6054 -16.5791 -16.5791 -16.5679 -16.5679 -7.5944 -7.5944 -7.4038 -7.4038 0.7083 0.7083 1.4599 1.4599 1.9750 1.9750 2.3127 2.3127 3.2784 3.2784 3.3126 3.3126 3.6747 3.6747 3.9376 3.9376 7.9450 7.9450 8.0556 8.0556 8.4997 8.4997 8.8050 8.8050 k = 0.0000 0.2821 0.2277 ( 5252 PWs) bands (ev): -35.7337 -35.7337 -35.7302 -35.7302 -16.9862 -16.9862 -16.9684 -16.9684 -16.6267 -16.6267 -16.6068 -16.6068 -16.5793 -16.5793 -16.5684 -16.5684 -7.5783 -7.5783 -7.3953 -7.3953 0.7031 0.7031 1.4220 1.4220 1.9560 1.9560 2.3069 2.3069 3.2670 3.2670 3.3164 3.3164 3.6396 3.6396 3.9180 3.9180 7.9762 7.9762 8.0533 8.0533 8.4994 8.4994 8.8435 8.8435 k = 0.0000 0.2949 0.2277 ( 5272 PWs) bands (ev): -35.7335 -35.7335 -35.7302 -35.7302 -16.9864 -16.9864 -16.9695 -16.9695 -16.6271 -16.6271 -16.6083 -16.6083 -16.5795 -16.5795 -16.5689 -16.5689 -7.5622 -7.5622 -7.3871 -7.3871 0.6959 0.6959 1.3756 1.3756 1.9482 1.9482 2.3068 2.3068 3.2521 3.2521 3.3238 3.3238 3.6034 3.6034 3.8976 3.8976 8.0052 8.0052 8.0529 8.0529 8.5016 8.5016 8.8815 8.8815 k = 0.0000 0.3077 0.2277 ( 5278 PWs) bands (ev): -35.7333 -35.7333 -35.7302 -35.7302 -16.9866 -16.9866 -16.9706 -16.9706 -16.6275 -16.6275 -16.6098 -16.6098 -16.5797 -16.5797 -16.5694 -16.5694 -7.5460 -7.5460 -7.3794 -7.3794 0.6871 0.6871 1.3230 1.3230 1.9498 1.9498 2.3120 2.3120 3.2352 3.2352 3.3329 3.3329 3.5666 3.5666 3.8765 3.8765 8.0314 8.0314 8.0544 8.0544 8.5064 8.5064 8.9187 8.9187 k = 0.0000 0.3205 0.2277 ( 5278 PWs) bands (ev): -35.7331 -35.7331 -35.7302 -35.7302 -16.9867 -16.9867 -16.9717 -16.9717 -16.6278 -16.6278 -16.6112 -16.6112 -16.5797 -16.5797 -16.5698 -16.5698 -7.5299 -7.5299 -7.3722 -7.3722 0.6769 0.6769 1.2666 1.2666 1.9589 1.9589 2.3218 2.3218 3.2168 3.2168 3.3429 3.3429 3.5295 3.5295 3.8547 3.8547 8.0519 8.0519 8.0599 8.0599 8.5138 8.5138 8.9508 8.9508 k = 0.0000 0.3333 0.2277 ( 5274 PWs) bands (ev): -35.7329 -35.7329 -35.7302 -35.7302 -16.9868 -16.9868 -16.9728 -16.9728 -16.6282 -16.6282 -16.6126 -16.6126 -16.5797 -16.5797 -16.5703 -16.5703 -7.5140 -7.5140 -7.3655 -7.3655 0.6658 0.6658 1.2084 1.2084 1.9741 1.9741 2.3355 2.3355 3.1971 3.1971 3.3535 3.3535 3.4924 3.4924 3.8324 3.8324 8.0583 8.0583 8.0770 8.0770 8.5239 8.5239 8.9409 8.9409 k = 0.0000 0.3462 0.2277 ( 5280 PWs) bands (ev): -35.7327 -35.7327 -35.7302 -35.7302 -16.9869 -16.9869 -16.9739 -16.9739 -16.6285 -16.6285 -16.6141 -16.6141 -16.5796 -16.5796 -16.5707 -16.5707 -7.4984 -7.4984 -7.3595 -7.3595 0.6544 0.6544 1.1499 1.1499 1.9941 1.9941 2.3521 2.3521 3.1761 3.1761 3.3642 3.3642 3.4561 3.4561 3.8096 3.8096 8.0624 8.0624 8.0933 8.0933 8.5365 8.5365 8.9269 8.9269 k = 0.0000 0.3590 0.2277 ( 5274 PWs) bands (ev): -35.7325 -35.7325 -35.7302 -35.7302 -16.9869 -16.9869 -16.9750 -16.9750 -16.6287 -16.6287 -16.6155 -16.6155 -16.5795 -16.5795 -16.5711 -16.5711 -7.4830 -7.4830 -7.3542 -7.3542 0.6430 0.6430 1.0922 1.0922 2.0182 2.0182 2.3707 2.3707 3.1541 3.1541 3.3736 3.3736 3.4222 3.4222 3.7865 3.7865 8.0664 8.0664 8.1060 8.1060 8.5517 8.5517 8.9197 8.9197 k = 0.0000 0.3718 0.2277 ( 5266 PWs) bands (ev): -35.7323 -35.7323 -35.7302 -35.7302 -16.9869 -16.9869 -16.9760 -16.9760 -16.6289 -16.6289 -16.6168 -16.6168 -16.5793 -16.5793 -16.5715 -16.5715 -7.4681 -7.4681 -7.3497 -7.3497 0.6324 0.6324 1.0363 1.0363 2.0457 2.0457 2.3904 2.3904 3.1315 3.1315 3.3694 3.3694 3.4030 3.4030 3.7633 3.7633 8.0704 8.0704 8.1150 8.1150 8.5694 8.5694 8.9195 8.9195 k = 0.0000 0.3846 0.2277 ( 5272 PWs) bands (ev): -35.7322 -35.7322 -35.7302 -35.7302 -16.9869 -16.9869 -16.9770 -16.9770 -16.6290 -16.6290 -16.6181 -16.6181 -16.5791 -16.5791 -16.5719 -16.5719 -7.4538 -7.4538 -7.3461 -7.3461 0.6228 0.6228 0.9826 0.9826 2.0760 2.0760 2.4099 2.4099 3.1089 3.1089 3.3411 3.3411 3.4093 3.4093 3.7400 3.7400 8.0742 8.0742 8.1205 8.1205 8.5897 8.5897 8.9262 8.9262 k = 0.0000 0.3974 0.2277 ( 5276 PWs) bands (ev): -35.7320 -35.7320 -35.7302 -35.7302 -16.9868 -16.9868 -16.9780 -16.9780 -16.6291 -16.6291 -16.6194 -16.6194 -16.5788 -16.5788 -16.5723 -16.5723 -7.4400 -7.4400 -7.3434 -7.3434 0.6149 0.6149 0.9317 0.9317 2.1087 2.1087 2.4281 2.4281 3.0872 3.0872 3.3081 3.3081 3.4215 3.4215 3.7169 3.7169 8.0777 8.0777 8.1230 8.1230 8.6123 8.6123 8.9389 8.9389 k = 0.0000 0.4103 0.2277 ( 5280 PWs) bands (ev): -35.7318 -35.7318 -35.7303 -35.7303 -16.9867 -16.9867 -16.9790 -16.9790 -16.6292 -16.6292 -16.6206 -16.6206 -16.5786 -16.5786 -16.5728 -16.5728 -7.4268 -7.4268 -7.3416 -7.3416 0.6091 0.6091 0.8839 0.8839 2.1431 2.1431 2.4435 2.4435 3.0675 3.0675 3.2751 3.2751 3.4352 3.4352 3.6940 3.6940 8.0808 8.0808 8.1230 8.1230 8.6373 8.6373 8.9568 8.9568 k = 0.0000 0.4231 0.2277 ( 5278 PWs) bands (ev): -35.7316 -35.7316 -35.7303 -35.7303 -16.9865 -16.9865 -16.9798 -16.9798 -16.6291 -16.6291 -16.6217 -16.6217 -16.5782 -16.5782 -16.5732 -16.5732 -7.4144 -7.4144 -7.3408 -7.3408 0.6057 0.6057 0.8396 0.8396 2.1790 2.1790 2.4549 2.4549 3.0512 3.0512 3.2426 3.2426 3.4496 3.4496 3.6715 3.6715 8.0837 8.0837 8.1213 8.1213 8.6646 8.6646 8.9789 8.9789 k = 0.0000 0.4359 0.2277 ( 5272 PWs) bands (ev): -35.7315 -35.7315 -35.7304 -35.7304 -16.9863 -16.9863 -16.9807 -16.9807 -16.6290 -16.6290 -16.6228 -16.6228 -16.5779 -16.5779 -16.5736 -16.5736 -7.4028 -7.4028 -7.3411 -7.3411 0.6052 0.6052 0.7988 0.7988 2.2157 2.2157 2.4607 2.4607 3.0397 3.0397 3.2109 3.2109 3.4646 3.4646 3.6495 3.6495 8.0864 8.0864 8.1183 8.1183 8.6942 8.6942 9.0040 9.0041 k = 0.0000 0.4487 0.2277 ( 5274 PWs) bands (ev): -35.7313 -35.7313 -35.7304 -35.7304 -16.9860 -16.9860 -16.9815 -16.9815 -16.6287 -16.6287 -16.6238 -16.6238 -16.5775 -16.5775 -16.5740 -16.5740 -7.3921 -7.3921 -7.3425 -7.3425 0.6078 0.6078 0.7619 0.7619 2.2527 2.2527 2.4600 2.4600 3.0340 3.0340 3.1801 3.1801 3.4803 3.4803 3.6280 3.6280 8.0889 8.0889 8.1146 8.1146 8.7258 8.7258 9.0311 9.0311 k = 0.0000 0.4615 0.2277 ( 5274 PWs) bands (ev): -35.7312 -35.7312 -35.7305 -35.7305 -16.9856 -16.9856 -16.9823 -16.9823 -16.6284 -16.6284 -16.6247 -16.6247 -16.5771 -16.5771 -16.5745 -16.5745 -7.3823 -7.3823 -7.3449 -7.3449 0.6137 0.6137 0.7288 0.7288 2.2894 2.2894 2.4521 2.4521 3.0350 3.0350 3.1506 3.1506 3.4965 3.4965 3.6072 3.6072 8.0913 8.0913 8.1107 8.1107 8.7594 8.7594 8.9961 8.9962 k = 0.0000 0.4744 0.2277 ( 5276 PWs) bands (ev): -35.7310 -35.7310 -35.7306 -35.7306 -16.9852 -16.9852 -16.9830 -16.9830 -16.6280 -16.6280 -16.6255 -16.6255 -16.5767 -16.5767 -16.5749 -16.5749 -7.3734 -7.3734 -7.3484 -7.3484 0.6232 0.6232 0.6998 0.6998 2.3249 2.3249 2.4371 2.4371 3.0425 3.0425 3.1227 3.1227 3.5133 3.5133 3.5871 3.5871 8.0939 8.0939 8.1068 8.1068 8.7949 8.7949 8.9533 8.9533 k = 0.0000 0.4872 0.2277 ( 5272 PWs) bands (ev): -35.7309 -35.7309 -35.7307 -35.7307 -16.9848 -16.9848 -16.9836 -16.9836 -16.6276 -16.6276 -16.6263 -16.6263 -16.5762 -16.5762 -16.5754 -16.5754 -7.3656 -7.3656 -7.3531 -7.3531 0.6365 0.6365 0.6747 0.6747 2.3585 2.3585 2.4158 2.4158 3.0560 3.0560 3.0971 3.0971 3.5308 3.5308 3.5676 3.5676 8.0967 8.0967 8.1031 8.1031 8.8323 8.8323 8.9116 8.9116 k = 0.0000 0.5000 0.2277 ( 5264 PWs) bands (ev): -35.7308 -35.7308 -35.7308 -35.7308 -16.9842 -16.9842 -16.9842 -16.9842 -16.6269 -16.6269 -16.6269 -16.6269 -16.5758 -16.5758 -16.5758 -16.5758 -7.3588 -7.3588 -7.3588 -7.3588 0.6536 0.6536 0.6536 0.6536 2.3892 2.3892 2.3892 2.3892 3.0746 3.0746 3.0746 3.0746 3.5489 3.5489 3.5489 3.5489 8.0997 8.0997 8.0997 8.0997 8.8712 8.8712 8.8712 8.8712 k = 0.0000 0.5000 0.2277 ( 5264 PWs) bands (ev): -35.7308 -35.7308 -35.7308 -35.7308 -16.9842 -16.9842 -16.9842 -16.9842 -16.6269 -16.6269 -16.6269 -16.6269 -16.5758 -16.5758 -16.5758 -16.5758 -7.3588 -7.3588 -7.3588 -7.3588 0.6536 0.6536 0.6536 0.6536 2.3892 2.3892 2.3892 2.3892 3.0746 3.0746 3.0746 3.0746 3.5489 3.5489 3.5489 3.5489 8.0997 8.0997 8.0997 8.0997 8.8712 8.8712 8.8712 8.8712 k = 0.0128 0.5000 0.2277 ( 5264 PWs) bands (ev): -35.7308 -35.7308 -35.7308 -35.7308 -16.9842 -16.9842 -16.9842 -16.9842 -16.6271 -16.6271 -16.6267 -16.6267 -16.5760 -16.5760 -16.5756 -16.5756 -7.3585 -7.3585 -7.3584 -7.3584 0.6541 0.6541 0.6550 0.6550 2.3871 2.3871 2.3911 2.3911 3.0653 3.0653 3.0824 3.0824 3.5380 3.5380 3.5535 3.5535 8.1001 8.1001 8.1028 8.1028 8.8677 8.8677 8.8711 8.8711 k = 0.0256 0.5000 0.2277 ( 5264 PWs) bands (ev): -35.7308 -35.7308 -35.7308 -35.7308 -16.9843 -16.9843 -16.9842 -16.9842 -16.6273 -16.6273 -16.6265 -16.6265 -16.5764 -16.5764 -16.5756 -16.5756 -7.3575 -7.3575 -7.3575 -7.3575 0.6564 0.6564 0.6581 0.6581 2.3846 2.3846 2.3926 2.3926 3.0543 3.0543 3.0889 3.0889 3.5207 3.5207 3.5520 3.5520 8.1038 8.1038 8.1092 8.1092 8.8609 8.8609 8.8674 8.8674 k = 0.0385 0.5000 0.2277 ( 5264 PWs) bands (ev): -35.7308 -35.7308 -35.7308 -35.7308 -16.9843 -16.9843 -16.9843 -16.9843 -16.6275 -16.6275 -16.6262 -16.6262 -16.5769 -16.5769 -16.5757 -16.5757 -7.3560 -7.3560 -7.3558 -7.3558 0.6605 0.6605 0.6631 0.6631 2.3817 2.3817 2.3939 2.3939 3.0413 3.0413 3.0943 3.0943 3.4972 3.4972 3.5450 3.5450 8.1110 8.1110 8.1188 8.1188 8.8511 8.8511 8.8604 8.8604 k = 0.0513 0.5000 0.2277 ( 5256 PWs) bands (ev): -35.7307 -35.7307 -35.7307 -35.7307 -16.9844 -16.9844 -16.9843 -16.9843 -16.6276 -16.6276 -16.6259 -16.6259 -16.5775 -16.5775 -16.5759 -16.5759 -7.3537 -7.3537 -7.3536 -7.3536 0.6663 0.6663 0.6699 0.6699 2.3783 2.3783 2.3950 2.3950 3.0259 3.0259 3.0985 3.0985 3.4679 3.4679 3.5332 3.5332 8.1213 8.1213 8.1314 8.1314 8.8385 8.8385 8.8504 8.8504 k = 0.0641 0.5000 0.2277 ( 5264 PWs) bands (ev): -35.7307 -35.7307 -35.7307 -35.7307 -16.9845 -16.9845 -16.9844 -16.9844 -16.6277 -16.6277 -16.6256 -16.6256 -16.5782 -16.5782 -16.5763 -16.5763 -7.3509 -7.3509 -7.3507 -7.3507 0.6738 0.6738 0.6784 0.6784 2.3743 2.3743 2.3957 2.3957 3.0077 3.0077 3.1015 3.1015 3.4334 3.4334 3.5175 3.5175 8.1347 8.1347 8.1467 8.1467 8.8234 8.8234 8.8376 8.8376 k = 0.0769 0.5000 0.2277 ( 5272 PWs) bands (ev): -35.7306 -35.7306 -35.7306 -35.7306 -16.9847 -16.9847 -16.9845 -16.9845 -16.6278 -16.6278 -16.6253 -16.6253 -16.5791 -16.5791 -16.5767 -16.5767 -7.3474 -7.3474 -7.3472 -7.3472 0.6830 0.6830 0.6886 0.6886 2.3695 2.3695 2.3961 2.3961 2.9864 2.9864 3.1031 3.1031 3.3947 3.3947 3.4988 3.4988 8.1509 8.1509 8.1645 8.1645 8.8062 8.8062 8.8226 8.8226 k = 0.0897 0.5000 0.2277 ( 5272 PWs) bands (ev): -35.7306 -35.7306 -35.7306 -35.7306 -16.9848 -16.9848 -16.9847 -16.9847 -16.6279 -16.6279 -16.6249 -16.6249 -16.5800 -16.5800 -16.5773 -16.5773 -7.3434 -7.3434 -7.3432 -7.3432 0.6939 0.6939 0.7005 0.7005 2.3639 2.3639 2.3961 2.3961 2.9614 2.9614 3.1028 3.1028 3.3529 3.3529 3.4782 3.4782 8.1698 8.1698 8.1846 8.1846 8.7871 8.7871 8.8056 8.8056 k = 0.1026 0.5000 0.2277 ( 5280 PWs) bands (ev): -35.7305 -35.7305 -35.7305 -35.7305 -16.9850 -16.9850 -16.9848 -16.9848 -16.6279 -16.6279 -16.6245 -16.6245 -16.5811 -16.5811 -16.5779 -16.5779 -7.3388 -7.3388 -7.3385 -7.3385 0.7062 0.7062 0.7139 0.7139 2.3573 2.3573 2.3956 2.3956 2.9326 2.9326 3.0997 3.0997 3.3098 3.3098 3.4568 3.4568 8.1909 8.1909 8.2066 8.2066 8.7663 8.7663 8.7870 8.7870 k = 0.1154 0.5000 0.2277 ( 5284 PWs) bands (ev): -35.7305 -35.7305 -35.7305 -35.7305 -16.9852 -16.9852 -16.9850 -16.9850 -16.6280 -16.6280 -16.6241 -16.6241 -16.5823 -16.5823 -16.5787 -16.5787 -7.3337 -7.3337 -7.3334 -7.3334 0.7201 0.7201 0.7289 0.7289 2.3493 2.3493 2.3945 2.3945 2.8998 2.8998 3.0921 3.0921 3.2680 3.2680 3.4355 3.4355 8.2140 8.2140 8.2304 8.2304 8.7441 8.7441 8.7670 8.7670 k = 0.1282 0.5000 0.2277 ( 5284 PWs) bands (ev): -35.7304 -35.7304 -35.7304 -35.7304 -16.9854 -16.9854 -16.9852 -16.9852 -16.6280 -16.6280 -16.6237 -16.6237 -16.5835 -16.5835 -16.5795 -16.5795 -7.3280 -7.3280 -7.3277 -7.3277 0.7352 0.7352 0.7454 0.7454 2.3397 2.3397 2.3925 2.3925 2.8633 2.8633 3.0772 3.0772 3.2313 3.2313 3.4149 3.4149 8.2390 8.2390 8.2556 8.2556 8.7209 8.7209 8.7461 8.7461 k = 0.1410 0.5000 0.2277 ( 5280 PWs) bands (ev): -35.7303 -35.7303 -35.7303 -35.7303 -16.9856 -16.9856 -16.9854 -16.9854 -16.6280 -16.6280 -16.6232 -16.6232 -16.5848 -16.5848 -16.5803 -16.5803 -7.3219 -7.3219 -7.3215 -7.3215 0.7517 0.7517 0.7631 0.7631 2.3281 2.3281 2.3893 2.3893 2.8237 2.8237 3.0522 3.0522 3.2037 3.2037 3.3955 3.3955 8.2654 8.2654 8.2820 8.2820 8.6969 8.6969 8.7244 8.7244 k = 0.1538 0.5000 0.2277 ( 5280 PWs) bands (ev): -35.7302 -35.7302 -35.7302 -35.7302 -16.9858 -16.9858 -16.9856 -16.9856 -16.6280 -16.6280 -16.6228 -16.6228 -16.5861 -16.5861 -16.5813 -16.5813 -7.3153 -7.3153 -7.3149 -7.3149 0.7692 0.7692 0.7821 0.7821 2.3141 2.3141 2.3845 2.3845 2.7819 2.7819 3.0174 3.0174 3.1857 3.1857 3.3776 3.3776 8.2929 8.2929 8.3091 8.3091 8.6724 8.6724 8.7024 8.7024 k = 0.1667 0.5000 0.2277 ( 5272 PWs) bands (ev): -35.7301 -35.7301 -35.7301 -35.7301 -16.9861 -16.9861 -16.9858 -16.9858 -16.6279 -16.6279 -16.6223 -16.6223 -16.5875 -16.5875 -16.5822 -16.5822 -7.3084 -7.3084 -7.3079 -7.3079 0.7877 0.7877 0.8022 0.8022 2.2974 2.2974 2.3772 2.3772 2.7391 2.7391 2.9765 2.9765 3.1748 3.1748 3.3611 3.3611 8.3211 8.3211 8.3367 8.3367 8.6477 8.6477 8.6802 8.6802 k = 0.1795 0.5000 0.2277 ( 5276 PWs) bands (ev): -35.7300 -35.7300 -35.7300 -35.7300 -16.9864 -16.9864 -16.9861 -16.9861 -16.6279 -16.6279 -16.6218 -16.6218 -16.5890 -16.5890 -16.5833 -16.5833 -7.3010 -7.3010 -7.3006 -7.3006 0.8070 0.8070 0.8232 0.8232 2.2774 2.2774 2.3666 2.3666 2.6972 2.6972 2.9337 2.9337 3.1678 3.1678 3.3460 3.3460 8.3495 8.3495 8.3642 8.3642 8.6230 8.6230 8.6580 8.6580 k = 0.1923 0.5000 0.2277 ( 5280 PWs) bands (ev): -35.7299 -35.7299 -35.7299 -35.7299 -16.9867 -16.9867 -16.9864 -16.9864 -16.6279 -16.6279 -16.6213 -16.6213 -16.5906 -16.5906 -16.5844 -16.5844 -7.2934 -7.2934 -7.2929 -7.2929 0.8270 0.8270 0.8450 0.8450 2.2537 2.2537 2.3513 2.3513 2.6581 2.6581 2.8920 2.8920 3.1627 3.1627 3.3321 3.3321 8.3774 8.3774 8.3911 8.3911 8.5985 8.5985 8.6360 8.6360 k = 0.2051 0.5000 0.2277 ( 5272 PWs) bands (ev): -35.7298 -35.7298 -35.7298 -35.7298 -16.9869 -16.9869 -16.9867 -16.9867 -16.6278 -16.6278 -16.6208 -16.6208 -16.5921 -16.5921 -16.5855 -16.5855 -7.2854 -7.2854 -7.2849 -7.2849 0.8474 0.8474 0.8674 0.8674 2.2262 2.2262 2.3300 2.3300 2.6240 2.6240 2.8532 2.8532 3.1584 3.1584 3.3191 3.3191 8.4041 8.4041 8.4166 8.4166 8.5743 8.5743 8.6142 8.6142 k = 0.2179 0.5000 0.2277 ( 5268 PWs) bands (ev): -35.7297 -35.7297 -35.7297 -35.7297 -16.9873 -16.9873 -16.9870 -16.9870 -16.6278 -16.6278 -16.6203 -16.6203 -16.5936 -16.5936 -16.5866 -16.5866 -7.2772 -7.2772 -7.2767 -7.2767 0.8681 0.8681 0.8902 0.8902 2.1948 2.1948 2.3021 2.3021 2.5964 2.5964 2.8186 2.8186 3.1542 3.1542 3.3067 3.3067 8.4288 8.4288 8.4398 8.4398 8.5505 8.5505 8.5925 8.5925 k = 0.2308 0.5000 0.2277 ( 5276 PWs) bands (ev): -35.7296 -35.7296 -35.7296 -35.7296 -16.9876 -16.9876 -16.9873 -16.9873 -16.6278 -16.6278 -16.6198 -16.6198 -16.5953 -16.5953 -16.5877 -16.5877 -7.2689 -7.2689 -7.2683 -7.2683 0.8888 0.8888 0.9131 0.9131 2.1599 2.1599 2.2676 2.2676 2.5760 2.5760 2.7887 2.7887 3.1498 3.1498 3.2947 3.2947 8.4501 8.4501 8.4600 8.4600 8.5271 8.5271 8.5705 8.5705 k = 0.2436 0.5000 0.2277 ( 5276 PWs) bands (ev): -35.7295 -35.7295 -35.7295 -35.7295 -16.9879 -16.9879 -16.9877 -16.9877 -16.6277 -16.6277 -16.6194 -16.6194 -16.5968 -16.5968 -16.5889 -16.5889 -7.2604 -7.2604 -7.2598 -7.2598 0.9092 0.9092 0.9359 0.9359 2.1221 2.1221 2.2281 2.2281 2.5619 2.5619 2.7636 2.7636 3.1449 3.1449 3.2828 3.2828 8.4666 8.4666 8.4764 8.4764 8.5048 8.5048 8.5479 8.5479 k = 0.2564 0.5000 0.2277 ( 5276 PWs) bands (ev): -35.7293 -35.7293 -35.7293 -35.7293 -16.9883 -16.9883 -16.9880 -16.9880 -16.6277 -16.6277 -16.6189 -16.6189 -16.5984 -16.5984 -16.5900 -16.5900 -7.2518 -7.2518 -7.2512 -7.2512 0.9290 0.9290 0.9583 0.9583 2.0821 2.0821 2.1852 2.1852 2.5532 2.5532 2.7431 2.7431 3.1394 3.1394 3.2709 3.2709 8.4694 8.4694 8.4883 8.4883 8.4912 8.4912 8.5242 8.5242 k = 0.2692 0.5000 0.2277 ( 5268 PWs) bands (ev): -35.7292 -35.7292 -35.7292 -35.7292 -16.9886 -16.9886 -16.9883 -16.9883 -16.6276 -16.6276 -16.6184 -16.6184 -16.5999 -16.5999 -16.5911 -16.5911 -7.2432 -7.2432 -7.2426 -7.2426 0.9481 0.9481 0.9799 0.9799 2.0411 2.0411 2.1409 2.1409 2.5485 2.5485 2.7270 2.7270 3.1332 3.1332 3.2589 3.2589 8.4491 8.4491 8.4910 8.4910 8.4952 8.4952 8.5039 8.5039 k = 0.2821 0.5000 0.2277 ( 5268 PWs) bands (ev): -35.7291 -35.7291 -35.7291 -35.7291 -16.9890 -16.9890 -16.9887 -16.9887 -16.6276 -16.6276 -16.6180 -16.6180 -16.6013 -16.6013 -16.5922 -16.5922 -7.2346 -7.2346 -7.2341 -7.2341 0.9661 0.9661 1.0004 1.0004 2.0000 2.0000 2.0967 2.0967 2.5469 2.5469 2.7147 2.7147 3.1262 3.1262 3.2465 3.2465 8.4232 8.4232 8.4667 8.4667 8.4996 8.4996 8.5050 8.5050 k = 0.2949 0.5000 0.2277 ( 5264 PWs) bands (ev): -35.7290 -35.7290 -35.7290 -35.7290 -16.9893 -16.9893 -16.9891 -16.9891 -16.6276 -16.6276 -16.6177 -16.6177 -16.6027 -16.6027 -16.5932 -16.5932 -7.2262 -7.2262 -7.2256 -7.2256 0.9826 0.9826 1.0195 1.0195 1.9598 1.9598 2.0538 2.0538 2.5477 2.5477 2.7056 2.7056 3.1184 3.1184 3.2336 3.2336 8.3949 8.3949 8.4357 8.4357 8.5017 8.5017 8.5081 8.5081 k = 0.3077 0.5000 0.2277 ( 5264 PWs) bands (ev): -35.7289 -35.7289 -35.7289 -35.7289 -16.9897 -16.9897 -16.9894 -16.9894 -16.6275 -16.6275 -16.6174 -16.6174 -16.6040 -16.6040 -16.5942 -16.5942 -7.2179 -7.2179 -7.2173 -7.2173 0.9974 0.9974 1.0366 1.0366 1.9217 1.9217 2.0131 2.0131 2.5505 2.5505 2.6994 2.6994 3.1096 3.1096 3.2202 3.2202 8.3647 8.3647 8.4020 8.4020 8.5025 8.5025 8.5104 8.5104 k = 0.3205 0.5000 0.2277 ( 5260 PWs) bands (ev): -35.7288 -35.7288 -35.7288 -35.7288 -16.9900 -16.9900 -16.9898 -16.9898 -16.6275 -16.6275 -16.6172 -16.6172 -16.6051 -16.6051 -16.5952 -16.5952 -7.2098 -7.2098 -7.2092 -7.2092 1.0103 1.0103 1.0515 1.0515 1.8863 1.8863 1.9755 1.9755 2.5549 2.5549 2.6957 2.6957 3.1001 3.1001 3.2062 3.2062 8.3329 8.3329 8.3665 8.3665 8.5029 8.5029 8.5127 8.5127 k = 0.3333 0.5000 0.2277 ( 5256 PWs) bands (ev): -35.7287 -35.7287 -35.7287 -35.7287 -16.9903 -16.9903 -16.9901 -16.9901 -16.6274 -16.6274 -16.6171 -16.6171 -16.6061 -16.6061 -16.5962 -16.5962 -7.2019 -7.2019 -7.2014 -7.2014 1.0210 1.0210 1.0637 1.0637 1.8545 1.8545 1.9413 1.9413 2.5607 2.5607 2.6940 2.6940 3.0897 3.0897 3.1917 3.1917 8.3001 8.3001 8.3300 8.3300 8.5038 8.5038 8.5154 8.5154 k = 0.3462 0.5000 0.2277 ( 5252 PWs) bands (ev): -35.7286 -35.7286 -35.7286 -35.7286 -16.9907 -16.9907 -16.9905 -16.9905 -16.6273 -16.6273 -16.6172 -16.6172 -16.6069 -16.6069 -16.5971 -16.5971 -7.1944 -7.1944 -7.1939 -7.1939 1.0295 1.0295 1.0730 1.0730 1.8268 1.8268 1.9108 1.9108 2.5678 2.5678 2.6940 2.6940 3.0787 3.0787 3.1764 3.1764 8.2670 8.2670 8.2934 8.2934 8.5057 8.5057 8.5188 8.5188 k = 0.3590 0.5000 0.2277 ( 5248 PWs) bands (ev): -35.7285 -35.7285 -35.7285 -35.7285 -16.9910 -16.9910 -16.9908 -16.9908 -16.6273 -16.6273 -16.6174 -16.6174 -16.6075 -16.6075 -16.5979 -16.5979 -7.1872 -7.1872 -7.1867 -7.1867 1.0357 1.0357 1.0792 1.0792 1.8036 1.8036 1.8843 1.8843 2.5760 2.5760 2.6955 2.6955 3.0670 3.0670 3.1607 3.1607 8.2342 8.2342 8.2573 8.2573 8.5089 8.5089 8.5231 8.5231 k = 0.3718 0.5000 0.2277 ( 5244 PWs) bands (ev): -35.7284 -35.7284 -35.7284 -35.7284 -16.9913 -16.9913 -16.9911 -16.9911 -16.6272 -16.6272 -16.6178 -16.6178 -16.6078 -16.6078 -16.5987 -16.5987 -7.1805 -7.1805 -7.1800 -7.1800 1.0397 1.0397 1.0824 1.0824 1.7851 1.7851 1.8617 1.8617 2.5853 2.5853 2.6981 2.6981 3.0550 3.0550 3.1444 3.1444 8.2023 8.2023 8.2225 8.2225 8.5132 8.5132 8.5283 8.5283 k = 0.3846 0.5000 0.2277 ( 5244 PWs) bands (ev): -35.7283 -35.7283 -35.7283 -35.7283 -16.9916 -16.9916 -16.9914 -16.9914 -16.6271 -16.6271 -16.6184 -16.6184 -16.6080 -16.6080 -16.5995 -16.5995 -7.1742 -7.1742 -7.1738 -7.1738 1.0418 1.0418 1.0827 1.0827 1.7711 1.7711 1.8427 1.8427 2.5955 2.5955 2.7015 2.7015 3.0429 3.0429 3.1277 3.1277 8.1720 8.1720 8.1895 8.1895 8.5188 8.5188 8.5342 8.5342 k = 0.3974 0.5000 0.2277 ( 5252 PWs) bands (ev): -35.7283 -35.7283 -35.7283 -35.7283 -16.9918 -16.9918 -16.9917 -16.9917 -16.6270 -16.6270 -16.6191 -16.6191 -16.6080 -16.6080 -16.6003 -16.6003 -7.1685 -7.1685 -7.1681 -7.1681 1.0422 1.0422 1.0804 1.0804 1.7612 1.7612 1.8271 1.8271 2.6066 2.6066 2.7055 2.7055 3.0308 3.0308 3.1107 3.1107 8.1438 8.1438 8.1588 8.1588 8.5254 8.5254 8.5406 8.5406 k = 0.4103 0.5000 0.2277 ( 5256 PWs) bands (ev): -35.7282 -35.7282 -35.7282 -35.7282 -16.9921 -16.9921 -16.9919 -16.9919 -16.6268 -16.6268 -16.6198 -16.6198 -16.6078 -16.6078 -16.6010 -16.6010 -7.1633 -7.1633 -7.1630 -7.1630 1.0415 1.0415 1.0763 1.0763 1.7551 1.7551 1.8143 1.8143 2.6185 2.6185 2.7096 2.7096 3.0194 3.0194 3.0937 3.0937 8.1181 8.1181 8.1308 8.1308 8.5327 8.5327 8.5473 8.5473 k = 0.4231 0.5000 0.2277 ( 5248 PWs) bands (ev): -35.7281 -35.7281 -35.7281 -35.7281 -16.9923 -16.9923 -16.9921 -16.9921 -16.6266 -16.6266 -16.6205 -16.6205 -16.6076 -16.6076 -16.6016 -16.6016 -7.1587 -7.1587 -7.1584 -7.1584 1.0400 1.0400 1.0707 1.0707 1.7522 1.7522 1.8040 1.8040 2.6309 2.6309 2.7133 2.7133 3.0090 3.0090 3.0768 3.0768 8.0953 8.0953 8.1059 8.1059 8.5403 8.5403 8.5540 8.5540 k = 0.4359 0.5000 0.2277 ( 5240 PWs) bands (ev): -35.7281 -35.7281 -35.7281 -35.7281 -16.9924 -16.9924 -16.9923 -16.9923 -16.6264 -16.6264 -16.6213 -16.6213 -16.6072 -16.6072 -16.6023 -16.6023 -7.1548 -7.1548 -7.1545 -7.1545 1.0382 1.0382 1.0643 1.0643 1.7516 1.7516 1.7956 1.7956 2.6437 2.6437 2.7161 2.7161 3.0002 3.0002 3.0603 3.0603 8.0756 8.0756 8.0842 8.0842 8.5480 8.5480 8.5601 8.5601 k = 0.4487 0.5000 0.2277 ( 5248 PWs) bands (ev): -35.7280 -35.7280 -35.7280 -35.7280 -16.9926 -16.9926 -16.9925 -16.9925 -16.6261 -16.6261 -16.6220 -16.6220 -16.6069 -16.6069 -16.6029 -16.6029 -7.1515 -7.1515 -7.1513 -7.1513 1.0366 1.0366 1.0578 1.0578 1.7530 1.7530 1.7886 1.7886 2.6566 2.6566 2.7175 2.7175 2.9935 2.9935 3.0446 3.0446 8.0593 8.0593 8.0661 8.0661 8.5552 8.5552 8.5655 8.5655 k = 0.4615 0.5000 0.2277 ( 5244 PWs) bands (ev): -35.7280 -35.7280 -35.7280 -35.7280 -16.9927 -16.9927 -16.9926 -16.9926 -16.6258 -16.6258 -16.6227 -16.6227 -16.6064 -16.6064 -16.6035 -16.6035 -7.1489 -7.1489 -7.1488 -7.1488 1.0355 1.0355 1.0516 1.0516 1.7556 1.7556 1.7826 1.7826 2.6692 2.6692 2.7171 2.7171 2.9895 2.9895 3.0299 3.0299 8.0466 8.0466 8.0516 8.0516 8.5617 8.5617 8.5698 8.5698 k = 0.4744 0.5000 0.2277 ( 5244 PWs) bands (ev): -35.7280 -35.7280 -35.7280 -35.7280 -16.9928 -16.9928 -16.9927 -16.9927 -16.6254 -16.6254 -16.6233 -16.6233 -16.6060 -16.6060 -16.6040 -16.6040 -7.1470 -7.1470 -7.1469 -7.1469 1.0352 1.0352 1.0460 1.0460 1.7592 1.7592 1.7772 1.7772 2.6813 2.6813 2.7143 2.7143 2.9887 2.9887 3.0168 3.0168 8.0377 8.0377 8.0410 8.0410 8.5671 8.5671 8.5726 8.5726 k = 0.4872 0.5000 0.2277 ( 5256 PWs) bands (ev): -35.7280 -35.7280 -35.7280 -35.7280 -16.9928 -16.9928 -16.9928 -16.9928 -16.6250 -16.6250 -16.6240 -16.6240 -16.6056 -16.6056 -16.6046 -16.6046 -7.1459 -7.1459 -7.1459 -7.1459 1.0361 1.0361 1.0415 1.0415 1.7632 1.7632 1.7723 1.7723 2.6923 2.6923 2.7092 2.7092 2.9912 2.9912 3.0056 3.0056 8.0326 8.0326 8.0343 8.0343 8.5710 8.5710 8.5738 8.5738 k = 0.5000 0.5000 0.2277 ( 5264 PWs) bands (ev): -35.7280 -35.7280 -35.7280 -35.7280 -16.9929 -16.9929 -16.9929 -16.9929 -16.6245 -16.6245 -16.6245 -16.6245 -16.6051 -16.6051 -16.6051 -16.6051 -7.1455 -7.1455 -7.1455 -7.1455 1.0382 1.0382 1.0382 1.0382 1.7676 1.7676 1.7676 1.7676 2.7017 2.7017 2.7017 2.7017 2.9969 2.9969 2.9969 2.9969 8.0315 8.0315 8.0315 8.0315 8.5733 8.5733 8.5733 8.5733 k = 0.5000 0.5000 0.2277 ( 5264 PWs) bands (ev): -35.7280 -35.7280 -35.7280 -35.7280 -16.9929 -16.9929 -16.9929 -16.9929 -16.6245 -16.6245 -16.6245 -16.6245 -16.6051 -16.6051 -16.6051 -16.6051 -7.1455 -7.1455 -7.1455 -7.1455 1.0382 1.0382 1.0382 1.0382 1.7676 1.7676 1.7676 1.7676 2.7017 2.7017 2.7017 2.7017 2.9969 2.9969 2.9969 2.9969 8.0315 8.0315 8.0315 8.0315 8.5733 8.5733 8.5733 8.5733 k = 0.4909 0.4909 0.2277 ( 5254 PWs) bands (ev): -35.7280 -35.7280 -35.7280 -35.7280 -16.9928 -16.9928 -16.9928 -16.9928 -16.6250 -16.6250 -16.6240 -16.6240 -16.6056 -16.6056 -16.6046 -16.6046 -7.1460 -7.1460 -7.1458 -7.1458 1.0361 1.0361 1.0415 1.0415 1.7632 1.7632 1.7724 1.7724 2.6921 2.6921 2.7093 2.7093 2.9912 2.9912 3.0057 3.0057 8.0326 8.0326 8.0343 8.0343 8.5692 8.5692 8.5756 8.5756 k = 0.4818 0.4818 0.2277 ( 5252 PWs) bands (ev): -35.7280 -35.7280 -35.7280 -35.7280 -16.9928 -16.9928 -16.9927 -16.9927 -16.6254 -16.6254 -16.6234 -16.6234 -16.6060 -16.6060 -16.6040 -16.6040 -7.1476 -7.1476 -7.1465 -7.1465 1.0353 1.0353 1.0461 1.0461 1.7587 1.7587 1.7776 1.7776 2.6804 2.6804 2.7152 2.7152 2.9883 2.9883 3.0173 3.0173 8.0374 8.0374 8.0413 8.0413 8.5584 8.5584 8.5814 8.5814 k = 0.4727 0.4727 0.2277 ( 5248 PWs) bands (ev): -35.7280 -35.7280 -35.7280 -35.7280 -16.9928 -16.9928 -16.9926 -16.9926 -16.6258 -16.6258 -16.6227 -16.6227 -16.6065 -16.6065 -16.6035 -16.6035 -7.1501 -7.1501 -7.1476 -7.1476 1.0359 1.0359 1.0519 1.0519 1.7540 1.7540 1.7835 1.7835 2.6666 2.6666 2.7198 2.7198 2.9881 2.9881 3.0315 3.0315 8.0458 8.0458 8.0524 8.0524 8.5413 8.5413 8.5912 8.5912 k = 0.4636 0.4636 0.2277 ( 5248 PWs) bands (ev): -35.7281 -35.7281 -35.7280 -35.7280 -16.9927 -16.9927 -16.9924 -16.9924 -16.6261 -16.6261 -16.6220 -16.6220 -16.6069 -16.6069 -16.6029 -16.6029 -7.1537 -7.1537 -7.1493 -7.1493 1.0378 1.0378 1.0589 1.0589 1.7488 1.7488 1.7903 1.7903 2.6509 2.6509 2.7233 2.7233 2.9905 2.9905 3.0480 3.0480 8.0575 8.0575 8.0674 8.0674 8.5190 8.5190 8.6047 8.6047 k = 0.4545 0.4545 0.2277 ( 5252 PWs) bands (ev): -35.7281 -35.7281 -35.7280 -35.7280 -16.9926 -16.9926 -16.9921 -16.9921 -16.6263 -16.6263 -16.6213 -16.6213 -16.6073 -16.6073 -16.6023 -16.6023 -7.1582 -7.1582 -7.1514 -7.1514 1.0410 1.0410 1.0670 1.0670 1.7431 1.7431 1.7983 1.7983 2.6337 2.6337 2.7260 2.7260 2.9953 2.9953 3.0665 3.0665 8.0722 8.0722 8.0861 8.0861 8.4931 8.4931 8.6219 8.6219 k = 0.4455 0.4455 0.2277 ( 5240 PWs) bands (ev): -35.7282 -35.7282 -35.7280 -35.7280 -16.9925 -16.9925 -16.9918 -16.9918 -16.6265 -16.6265 -16.6205 -16.6205 -16.6076 -16.6076 -16.6016 -16.6016 -7.1638 -7.1638 -7.1540 -7.1540 1.0457 1.0457 1.0761 1.0761 1.7368 1.7368 1.8074 1.8074 2.6154 2.6154 2.7281 2.7281 3.0023 3.0023 3.0867 3.0867 8.0897 8.0897 8.1078 8.1078 8.4652 8.4652 8.6427 8.6427 k = 0.4364 0.4364 0.2277 ( 5228 PWs) bands (ev): -35.7283 -35.7283 -35.7281 -35.7281 -16.9924 -16.9924 -16.9914 -16.9914 -16.6266 -16.6266 -16.6196 -16.6196 -16.6079 -16.6079 -16.6010 -16.6010 -7.1703 -7.1703 -7.1571 -7.1571 1.0518 1.0518 1.0862 1.0862 1.7298 1.7298 1.8179 1.8179 2.5966 2.5966 2.7295 2.7295 3.0112 3.0112 3.1084 3.1084 8.1094 8.1094 8.1320 8.1320 8.4372 8.4372 8.6669 8.6669 k = 0.4273 0.4273 0.2277 ( 5232 PWs) bands (ev): -35.7284 -35.7284 -35.7281 -35.7281 -16.9923 -16.9923 -16.9910 -16.9910 -16.6267 -16.6267 -16.6188 -16.6188 -16.6083 -16.6083 -16.6003 -16.6003 -7.1777 -7.1777 -7.1606 -7.1606 1.0593 1.0593 1.0972 1.0972 1.7221 1.7221 1.8298 1.8298 2.5775 2.5775 2.7303 2.7303 3.0219 3.0219 3.1313 3.1313 8.1301 8.1301 8.1581 8.1581 8.4112 8.4112 8.6943 8.6943 k = 0.4182 0.4182 0.2277 ( 5240 PWs) bands (ev): -35.7285 -35.7285 -35.7281 -35.7281 -16.9922 -16.9922 -16.9905 -16.9905 -16.6267 -16.6267 -16.6179 -16.6179 -16.6085 -16.6085 -16.5996 -16.5996 -7.1861 -7.1861 -7.1646 -7.1646 1.0683 1.0683 1.1088 1.1088 1.7138 1.7138 1.8431 1.8431 2.5587 2.5587 2.7305 2.7305 3.0344 3.0344 3.1554 3.1554 8.1499 8.1499 8.1853 8.1853 8.3901 8.3901 8.7247 8.7247 k = 0.4091 0.4091 0.2277 ( 5248 PWs) bands (ev): -35.7286 -35.7286 -35.7282 -35.7282 -16.9921 -16.9921 -16.9900 -16.9900 -16.6267 -16.6267 -16.6171 -16.6171 -16.6087 -16.6087 -16.5989 -16.5989 -7.1955 -7.1955 -7.1691 -7.1691 1.0787 1.0787 1.1211 1.1211 1.7050 1.7050 1.8579 1.8579 2.5405 2.5405 2.7298 2.7298 3.0485 3.0485 3.1804 3.1804 8.1657 8.1657 8.2126 8.2126 8.3783 8.3783 8.7579 8.7579 k = 0.4000 0.4000 0.2277 ( 5238 PWs) bands (ev): -35.7288 -35.7288 -35.7282 -35.7282 -16.9919 -16.9919 -16.9894 -16.9894 -16.6266 -16.6266 -16.6162 -16.6162 -16.6088 -16.6088 -16.5981 -16.5981 -7.2057 -7.2057 -7.1741 -7.1741 1.0905 1.0905 1.1336 1.1336 1.6960 1.6960 1.8743 1.8743 2.5232 2.5232 2.7283 2.7283 3.0643 3.0643 3.2063 3.2063 8.1732 8.1732 8.2394 8.2394 8.3805 8.3805 8.7936 8.7936 k = 0.3909 0.3909 0.2277 ( 5246 PWs) bands (ev): -35.7289 -35.7289 -35.7283 -35.7283 -16.9918 -16.9918 -16.9888 -16.9888 -16.6264 -16.6264 -16.6155 -16.6155 -16.6088 -16.6088 -16.5973 -16.5973 -7.2167 -7.2167 -7.1795 -7.1795 1.1035 1.1035 1.1464 1.1464 1.6870 1.6870 1.8922 1.8922 2.5072 2.5072 2.7260 2.7260 3.0815 3.0815 3.2331 3.2331 8.1706 8.1706 8.2652 8.2652 8.3986 8.3986 8.8314 8.8314 k = 0.3818 0.3818 0.2277 ( 5246 PWs) bands (ev): -35.7291 -35.7291 -35.7284 -35.7284 -16.9916 -16.9916 -16.9881 -16.9881 -16.6262 -16.6262 -16.6148 -16.6148 -16.6086 -16.6086 -16.5965 -16.5965 -7.2286 -7.2286 -7.1854 -7.1854 1.1176 1.1176 1.1591 1.1591 1.6785 1.6785 1.9117 1.9117 2.4927 2.4927 2.7227 2.7227 3.1002 3.1002 3.2606 3.2606 8.1602 8.1602 8.2898 8.2898 8.4303 8.4303 8.8709 8.8709 k = 0.3727 0.3727 0.2277 ( 5246 PWs) bands (ev): -35.7292 -35.7292 -35.7284 -35.7284 -16.9914 -16.9914 -16.9874 -16.9874 -16.6260 -16.6260 -16.6142 -16.6142 -16.6082 -16.6082 -16.5957 -16.5957 -7.2413 -7.2413 -7.1917 -7.1917 1.1322 1.1322 1.1719 1.1719 1.6709 1.6709 1.9327 1.9327 2.4799 2.4799 2.7185 2.7185 3.1203 3.1203 3.2889 3.2889 8.1458 8.1458 8.3127 8.3127 8.4718 8.4718 8.9119 8.9119 k = 0.3636 0.3636 0.2277 ( 5250 PWs) bands (ev): -35.7294 -35.7294 -35.7285 -35.7285 -16.9912 -16.9912 -16.9867 -16.9867 -16.6257 -16.6257 -16.6139 -16.6139 -16.6076 -16.6076 -16.5948 -16.5948 -7.2547 -7.2547 -7.1985 -7.1985 1.1464 1.1464 1.1850 1.1850 1.6649 1.6649 1.9552 1.9552 2.4690 2.4690 2.7135 2.7135 3.1417 3.1417 3.3179 3.3179 8.1302 8.1302 8.3337 8.3337 8.5201 8.5201 8.9537 8.9537 k = 0.3545 0.3545 0.2277 ( 5246 PWs) bands (ev): -35.7296 -35.7296 -35.7285 -35.7285 -16.9910 -16.9910 -16.9858 -16.9858 -16.6253 -16.6253 -16.6136 -16.6136 -16.6067 -16.6067 -16.5939 -16.5939 -7.2689 -7.2689 -7.2058 -7.2058 1.1584 1.1584 1.1996 1.1996 1.6612 1.6612 1.9791 1.9791 2.4600 2.4600 2.7076 2.7076 3.1644 3.1644 3.3474 3.3474 8.1150 8.1150 8.3523 8.3523 8.5730 8.5730 8.9956 8.9956 k = 0.3455 0.3455 0.2277 ( 5254 PWs) bands (ev): -35.7298 -35.7298 -35.7286 -35.7286 -16.9908 -16.9908 -16.9850 -16.9850 -16.6250 -16.6250 -16.6135 -16.6135 -16.6057 -16.6057 -16.5930 -16.5930 -7.2837 -7.2837 -7.2134 -7.2134 1.1664 1.1664 1.2169 1.2169 1.6605 1.6605 2.0044 2.0044 2.4531 2.4531 2.7012 2.7012 3.1883 3.1883 3.3776 3.3776 8.1009 8.1009 8.3687 8.3687 8.6283 8.6283 9.0124 9.0130 k = 0.3364 0.3364 0.2277 ( 5254 PWs) bands (ev): -35.7300 -35.7300 -35.7287 -35.7287 -16.9905 -16.9905 -16.9841 -16.9841 -16.6246 -16.6246 -16.6134 -16.6134 -16.6046 -16.6046 -16.5921 -16.5921 -7.2992 -7.2992 -7.2215 -7.2215 1.1694 1.1694 1.2372 1.2372 1.6634 1.6634 2.0310 2.0310 2.4483 2.4483 2.6943 2.6943 3.2134 3.2134 3.4082 3.4082 8.0885 8.0885 8.3828 8.3828 8.6828 8.6828 8.9920 8.9920 k = 0.3273 0.3273 0.2277 ( 5258 PWs) bands (ev): -35.7302 -35.7302 -35.7287 -35.7287 -16.9903 -16.9903 -16.9832 -16.9832 -16.6243 -16.6243 -16.6133 -16.6133 -16.6034 -16.6034 -16.5912 -16.5912 -7.3152 -7.3152 -7.2300 -7.2300 1.1676 1.1676 1.2598 1.2598 1.6704 1.6704 2.0588 2.0588 2.4456 2.4456 2.6874 2.6874 3.2395 3.2395 3.4393 3.4393 8.0779 8.0779 8.3948 8.3948 8.7306 8.7306 8.9856 8.9856 k = 0.3182 0.3182 0.2277 ( 5262 PWs) bands (ev): -35.7305 -35.7305 -35.7288 -35.7288 -16.9901 -16.9901 -16.9823 -16.9823 -16.6239 -16.6239 -16.6132 -16.6132 -16.6020 -16.6020 -16.5902 -16.5902 -7.3317 -7.3317 -7.2389 -7.2389 1.1613 1.1613 1.2843 1.2843 1.6817 1.6817 2.0874 2.0874 2.4450 2.4450 2.6807 2.6807 3.2666 3.2666 3.4708 3.4708 8.0691 8.0691 8.4052 8.4052 8.7636 8.7636 9.0023 9.0024 k = 0.3091 0.3091 0.2277 ( 5272 PWs) bands (ev): -35.7307 -35.7307 -35.7289 -35.7289 -16.9898 -16.9898 -16.9813 -16.9813 -16.6236 -16.6236 -16.6130 -16.6130 -16.6007 -16.6007 -16.5892 -16.5892 -7.3487 -7.3487 -7.2482 -7.2482 1.1509 1.1509 1.3101 1.3101 1.6973 1.6973 2.1167 2.1167 2.4466 2.4466 2.6748 2.6748 3.2945 3.2945 3.5026 3.5026 8.0620 8.0620 8.4142 8.4142 8.7779 8.7779 8.9934 8.9936 k = 0.3000 0.3000 0.2277 ( 5264 PWs) bands (ev): -35.7309 -35.7309 -35.7290 -35.7290 -16.9896 -16.9896 -16.9803 -16.9803 -16.6233 -16.6233 -16.6127 -16.6127 -16.5993 -16.5993 -16.5882 -16.5882 -7.3662 -7.3662 -7.2578 -7.2578 1.1369 1.1369 1.3368 1.3368 1.7171 1.7171 2.1463 2.1463 2.4506 2.4506 2.6702 2.6702 3.3233 3.3233 3.5346 3.5346 8.0565 8.0565 8.4223 8.4223 8.7794 8.7794 8.9442 8.9442 k = 0.2909 0.2909 0.2277 ( 5272 PWs) bands (ev): -35.7311 -35.7311 -35.7291 -35.7291 -16.9893 -16.9893 -16.9793 -16.9793 -16.6231 -16.6231 -16.6124 -16.6124 -16.5979 -16.5979 -16.5872 -16.5872 -7.3840 -7.3840 -7.2678 -7.2678 1.1199 1.1199 1.3639 1.3639 1.7408 1.7408 2.1756 2.1756 2.4572 2.4572 2.6673 2.6673 3.3528 3.3528 3.5667 3.5667 8.0525 8.0525 8.4298 8.4298 8.7752 8.7752 8.8948 8.8948 k = 0.2818 0.2818 0.2277 ( 5272 PWs) bands (ev): -35.7314 -35.7314 -35.7291 -35.7291 -16.9890 -16.9890 -16.9782 -16.9782 -16.6229 -16.6229 -16.6120 -16.6120 -16.5964 -16.5964 -16.5862 -16.5862 -7.4021 -7.4021 -7.2780 -7.2780 1.1004 1.1004 1.3912 1.3912 1.7680 1.7680 2.2040 2.2040 2.4669 2.4669 2.6668 2.6668 3.3828 3.3828 3.5989 3.5989 8.0498 8.0498 8.4372 8.4372 8.7687 8.7687 8.8461 8.8461 k = 0.2727 0.2727 0.2277 ( 5270 PWs) bands (ev): -35.7316 -35.7316 -35.7292 -35.7292 -16.9887 -16.9887 -16.9771 -16.9771 -16.6227 -16.6227 -16.6114 -16.6114 -16.5950 -16.5950 -16.5851 -16.5851 -7.4204 -7.4204 -7.2885 -7.2885 1.0790 1.0790 1.4179 1.4179 1.7983 1.7983 2.2308 2.2308 2.4802 2.4802 2.6690 2.6690 3.4133 3.4133 3.6311 3.6311 8.0484 8.0484 8.4448 8.4448 8.7565 8.7565 8.8033 8.8033 k = 0.2636 0.2636 0.2277 ( 5270 PWs) bands (ev): -35.7319 -35.7319 -35.7293 -35.7293 -16.9885 -16.9885 -16.9760 -16.9760 -16.6226 -16.6226 -16.6108 -16.6108 -16.5935 -16.5935 -16.5840 -16.5840 -7.4389 -7.4389 -7.2993 -7.2993 1.0561 1.0561 1.4438 1.4438 1.8314 1.8314 2.2552 2.2552 2.4981 2.4981 2.6745 2.6745 3.4440 3.4440 3.6631 3.6631 8.0482 8.0482 8.4531 8.4531 8.7227 8.7227 8.7832 8.7832 k = 0.2545 0.2545 0.2277 ( 5278 PWs) bands (ev): -35.7321 -35.7321 -35.7294 -35.7294 -16.9882 -16.9882 -16.9749 -16.9749 -16.6226 -16.6226 -16.6101 -16.6101 -16.5921 -16.5921 -16.5829 -16.5829 -7.4576 -7.4576 -7.3103 -7.3103 1.0322 1.0322 1.4681 1.4681 1.8670 1.8670 2.2769 2.2769 2.5210 2.5210 2.6834 2.6834 3.4750 3.4750 3.6949 3.6949 8.0493 8.0493 8.4620 8.4620 8.6731 8.6731 8.7800 8.7800 k = 0.2455 0.2455 0.2277 ( 5266 PWs) bands (ev): -35.7324 -35.7324 -35.7295 -35.7295 -16.9879 -16.9879 -16.9738 -16.9738 -16.6226 -16.6226 -16.6092 -16.6092 -16.5907 -16.5907 -16.5818 -16.5818 -7.4762 -7.4762 -7.3214 -7.3214 1.0076 1.0076 1.4904 1.4904 1.9049 1.9049 2.2959 2.2959 2.5493 2.5493 2.6958 2.6958 3.5060 3.5060 3.7265 3.7265 8.0515 8.0515 8.4720 8.4720 8.6190 8.6190 8.7824 8.7824 k = 0.2364 0.2364 0.2277 ( 5268 PWs) bands (ev): -35.7326 -35.7326 -35.7296 -35.7296 -16.9877 -16.9877 -16.9727 -16.9727 -16.6226 -16.6226 -16.6083 -16.6083 -16.5893 -16.5893 -16.5806 -16.5806 -7.4949 -7.4949 -7.3327 -7.3327 0.9827 0.9827 1.5100 1.5100 1.9448 1.9448 2.3130 2.3130 2.5826 2.5826 2.7117 2.7117 3.5368 3.5368 3.7576 3.7576 8.0550 8.0550 8.4830 8.4830 8.5627 8.5627 8.7875 8.7875 k = 0.2273 0.2273 0.2277 ( 5272 PWs) bands (ev): -35.7328 -35.7328 -35.7296 -35.7296 -16.9874 -16.9874 -16.9716 -16.9716 -16.6227 -16.6227 -16.6074 -16.6074 -16.5880 -16.5880 -16.5795 -16.5795 -7.5136 -7.5136 -7.3441 -7.3441 0.9578 0.9578 1.5265 1.5265 1.9866 1.9866 2.3291 2.3291 2.6203 2.6203 2.7311 2.7311 3.5674 3.5674 3.7882 3.7882 8.0599 8.0599 8.4938 8.4938 8.5060 8.5060 8.7946 8.7946 k = 0.2182 0.2182 0.2277 ( 5276 PWs) bands (ev): -35.7331 -35.7331 -35.7297 -35.7297 -16.9871 -16.9871 -16.9705 -16.9705 -16.6228 -16.6228 -16.6064 -16.6064 -16.5867 -16.5867 -16.5782 -16.5782 -7.5320 -7.5320 -7.3555 -7.3555 0.9329 0.9329 1.5395 1.5395 2.0300 2.0300 2.3453 2.3453 2.6617 2.6617 2.7537 2.7537 3.5976 3.5976 3.8182 3.8182 8.0662 8.0662 8.4447 8.4447 8.5088 8.5088 8.8028 8.8028 k = 0.2091 0.2091 0.2277 ( 5272 PWs) bands (ev): -35.7333 -35.7333 -35.7298 -35.7298 -16.9868 -16.9868 -16.9693 -16.9693 -16.6228 -16.6228 -16.6054 -16.6054 -16.5855 -16.5855 -16.5770 -16.5770 -7.5503 -7.5503 -7.3670 -7.3670 0.9083 0.9083 1.5486 1.5486 2.0749 2.0749 2.3625 2.3625 2.7058 2.7058 2.7797 2.7797 3.6273 3.6273 3.8475 3.8475 8.0740 8.0740 8.3840 8.3840 8.5228 8.5228 8.8113 8.8113 k = 0.2000 0.2000 0.2277 ( 5268 PWs) bands (ev): -35.7335 -35.7335 -35.7299 -35.7299 -16.9866 -16.9866 -16.9682 -16.9682 -16.6230 -16.6230 -16.6043 -16.6043 -16.5843 -16.5843 -16.5757 -16.5757 -7.5684 -7.5684 -7.3784 -7.3784 0.8842 0.8842 1.5540 1.5540 2.1211 2.1211 2.3814 2.3814 2.7515 2.7515 2.8093 2.8093 3.6562 3.6562 3.8759 3.8759 8.0834 8.0834 8.3222 8.3222 8.5374 8.5374 8.8190 8.8190 k = 0.1909 0.1909 0.2277 ( 5268 PWs) bands (ev): -35.7338 -35.7338 -35.7300 -35.7300 -16.9863 -16.9863 -16.9671 -16.9671 -16.6231 -16.6231 -16.6032 -16.6032 -16.5832 -16.5832 -16.5744 -16.5744 -7.5861 -7.5861 -7.3897 -7.3897 0.8607 0.8607 1.5555 1.5555 2.1683 2.1683 2.4023 2.4023 2.7973 2.7973 2.8434 2.8434 3.6844 3.6844 3.9034 3.9034 8.0944 8.0944 8.2595 8.2595 8.5520 8.5520 8.8245 8.8246 k = 0.1818 0.1818 0.2277 ( 5274 PWs) bands (ev): -35.7340 -35.7340 -35.7301 -35.7301 -16.9861 -16.9861 -16.9661 -16.9661 -16.6232 -16.6232 -16.6021 -16.6021 -16.5822 -16.5822 -16.5731 -16.5731 -7.6034 -7.6034 -7.4009 -7.4009 0.8379 0.8379 1.5535 1.5535 2.2163 2.2163 2.4253 2.4253 2.8407 2.8407 2.8838 2.8838 3.7116 3.7116 3.9298 3.9298 8.1061 8.1061 8.1968 8.1968 8.5661 8.5661 8.8258 8.8258 k = 0.1727 0.1727 0.2277 ( 5278 PWs) bands (ev): -35.7342 -35.7342 -35.7301 -35.7301 -16.9858 -16.9858 -16.9651 -16.9651 -16.6233 -16.6233 -16.6011 -16.6011 -16.5812 -16.5812 -16.5717 -16.5717 -7.6203 -7.6203 -7.4120 -7.4120 0.8160 0.8160 1.5485 1.5485 2.2648 2.2648 2.4502 2.4502 2.8807 2.8807 2.9309 2.9309 3.7377 3.7377 3.9549 3.9549 8.1093 8.1093 8.1441 8.1441 8.5787 8.5787 8.8190 8.8191 k = 0.1636 0.1636 0.2277 ( 5270 PWs) bands (ev): -35.7344 -35.7344 -35.7302 -35.7302 -16.9855 -16.9855 -16.9640 -16.9640 -16.6234 -16.6234 -16.6000 -16.6000 -16.5803 -16.5803 -16.5704 -16.5704 -7.6367 -7.6367 -7.4228 -7.4228 0.7948 0.7948 1.5407 1.5407 2.3136 2.3136 2.4768 2.4768 2.9189 2.9189 2.9826 2.9826 3.7627 3.7627 3.9787 3.9787 8.0595 8.0595 8.1460 8.1460 8.5891 8.5891 8.8002 8.8003 k = 0.1545 0.1545 0.2277 ( 5278 PWs) bands (ev): -35.7347 -35.7347 -35.7303 -35.7303 -16.9853 -16.9853 -16.9631 -16.9631 -16.6234 -16.6234 -16.5989 -16.5989 -16.5795 -16.5795 -16.5691 -16.5691 -7.6526 -7.6526 -7.4334 -7.4334 0.7746 0.7746 1.5308 1.5308 2.3624 2.3624 2.5048 2.5048 2.9565 2.9565 3.0370 3.0370 3.7866 3.7866 4.0010 4.0010 7.9958 7.9958 8.1637 8.1637 8.5961 8.5961 8.7716 8.7717 k = 0.1455 0.1455 0.2277 ( 5288 PWs) bands (ev): -35.7349 -35.7349 -35.7304 -35.7304 -16.9851 -16.9851 -16.9622 -16.9622 -16.6235 -16.6235 -16.5979 -16.5979 -16.5787 -16.5787 -16.5678 -16.5678 -7.6678 -7.6678 -7.4437 -7.4437 0.7554 0.7554 1.5191 1.5191 2.4109 2.4109 2.5338 2.5338 2.9942 2.9942 3.0930 3.0930 3.8091 3.8091 4.0215 4.0215 7.9311 7.9311 8.1848 8.1848 8.5988 8.5988 8.7377 8.7378 k = 0.1364 0.1364 0.2277 ( 5288 PWs) bands (ev): -35.7351 -35.7351 -35.7304 -35.7304 -16.9849 -16.9849 -16.9613 -16.9613 -16.6236 -16.6236 -16.5968 -16.5968 -16.5780 -16.5780 -16.5665 -16.5665 -7.6824 -7.6824 -7.4536 -7.4536 0.7373 0.7373 1.5063 1.5063 2.4587 2.4587 2.5633 2.5633 3.0320 3.0320 3.1497 3.1497 3.8302 3.8302 4.0403 4.0403 7.8666 7.8666 8.2084 8.2084 8.5965 8.5965 8.6973 8.6973 k = 0.1273 0.1273 0.2277 ( 5278 PWs) bands (ev): -35.7352 -35.7352 -35.7305 -35.7305 -16.9846 -16.9846 -16.9604 -16.9604 -16.6237 -16.6237 -16.5958 -16.5958 -16.5774 -16.5774 -16.5652 -16.5652 -7.6963 -7.6963 -7.4631 -7.4631 0.7202 0.7202 1.4926 1.4926 2.5055 2.5055 2.5931 2.5931 3.0699 3.0699 3.2068 3.2068 3.8500 3.8500 4.0573 4.0573 7.8031 7.8031 8.2343 8.2343 8.5883 8.5883 8.6485 8.6485 k = 0.1182 0.1182 0.2277 ( 5282 PWs) bands (ev): -35.7354 -35.7354 -35.7306 -35.7306 -16.9845 -16.9845 -16.9596 -16.9596 -16.6238 -16.6238 -16.5948 -16.5948 -16.5768 -16.5768 -16.5640 -16.5640 -7.7095 -7.7095 -7.4721 -7.4721 0.7041 0.7041 1.4785 1.4785 2.5509 2.5509 2.6227 2.6227 3.1075 3.1075 3.2637 3.2637 3.8682 3.8682 4.0722 4.0722 7.7409 7.7409 8.2624 8.2624 8.5713 8.5713 8.5967 8.5967 k = 0.1091 0.1091 0.2277 ( 5282 PWs) bands (ev): -35.7356 -35.7356 -35.7306 -35.7306 -16.9843 -16.9843 -16.9588 -16.9588 -16.6238 -16.6238 -16.5939 -16.5939 -16.5763 -16.5763 -16.5629 -16.5629 -7.7218 -7.7218 -7.4807 -7.4807 0.6893 0.6893 1.4643 1.4643 2.5946 2.5946 2.6520 2.6520 3.1445 3.1445 3.3202 3.3202 3.8847 3.8847 4.0852 4.0852 7.6805 7.6805 8.2924 8.2924 8.5265 8.5265 8.5651 8.5651 k = 0.1000 0.1000 0.2277 ( 5286 PWs) bands (ev): -35.7357 -35.7357 -35.7307 -35.7307 -16.9841 -16.9841 -16.9581 -16.9581 -16.6239 -16.6239 -16.5930 -16.5930 -16.5758 -16.5758 -16.5618 -16.5618 -7.7334 -7.7334 -7.4887 -7.4887 0.6755 0.6755 1.4504 1.4504 2.6360 2.6360 2.6806 2.6806 3.1807 3.1807 3.3757 3.3757 3.8994 3.8994 4.0963 4.0963 7.6224 7.6224 8.3235 8.3235 8.4688 8.4688 8.5430 8.5430 k = 0.0909 0.0909 0.2277 ( 5300 PWs) bands (ev): -35.7359 -35.7359 -35.7307 -35.7307 -16.9840 -16.9840 -16.9574 -16.9574 -16.6239 -16.6239 -16.5922 -16.5922 -16.5754 -16.5754 -16.5609 -16.5609 -7.7440 -7.7440 -7.4962 -7.4962 0.6629 0.6629 1.4369 1.4369 2.6746 2.6746 2.7087 2.7087 3.2156 3.2156 3.4300 3.4300 3.9121 3.9121 4.1055 4.1055 7.5671 7.5671 8.3504 8.3504 8.4169 8.4169 8.5199 8.5199 k = 0.0818 0.0818 0.2277 ( 5292 PWs) bands (ev): -35.7360 -35.7360 -35.7308 -35.7308 -16.9838 -16.9838 -16.9568 -16.9568 -16.6240 -16.6240 -16.5915 -16.5915 -16.5750 -16.5750 -16.5599 -16.5599 -7.7538 -7.7538 -7.5031 -7.5031 0.6515 0.6515 1.4241 1.4241 2.7093 2.7093 2.7366 2.7366 3.2488 3.2488 3.4826 3.4826 3.9225 3.9225 4.1132 4.1132 7.5152 7.5152 8.3345 8.3345 8.4119 8.4119 8.4961 8.4961 k = 0.0727 0.0727 0.2277 ( 5300 PWs) bands (ev): -35.7361 -35.7361 -35.7308 -35.7308 -16.9837 -16.9837 -16.9563 -16.9563 -16.6240 -16.6240 -16.5908 -16.5908 -16.5747 -16.5747 -16.5590 -16.5590 -7.7626 -7.7626 -7.5094 -7.5094 0.6413 0.6413 1.4122 1.4122 2.7391 2.7391 2.7646 2.7646 3.2799 3.2799 3.5332 3.5332 3.9303 3.9303 4.1194 4.1194 7.4670 7.4670 8.2854 8.2854 8.4437 8.4438 8.4736 8.4736 k = 0.0636 0.0636 0.2277 ( 5300 PWs) bands (ev): -35.7362 -35.7362 -35.7308 -35.7308 -16.9836 -16.9836 -16.9558 -16.9558 -16.6240 -16.6240 -16.5901 -16.5901 -16.5745 -16.5745 -16.5583 -16.5583 -7.7704 -7.7704 -7.5150 -7.5150 0.6323 0.6323 1.4014 1.4014 2.7640 2.7640 2.7923 2.7923 3.3086 3.3086 3.5814 3.5814 3.9351 3.9351 4.1245 4.1245 7.4231 7.4231 8.2360 8.2360 8.4461 8.4461 8.4879 8.4879 k = 0.0545 0.0545 0.2277 ( 5304 PWs) bands (ev): -35.7363 -35.7363 -35.7309 -35.7309 -16.9835 -16.9835 -16.9553 -16.9553 -16.6240 -16.6240 -16.5896 -16.5896 -16.5742 -16.5742 -16.5576 -16.5576 -7.7773 -7.7773 -7.5199 -7.5199 0.6244 0.6244 1.3917 1.3917 2.7848 2.7848 2.8183 2.8183 3.3344 3.3344 3.6268 3.6268 3.9367 3.9367 4.1288 4.1288 7.3840 7.3840 8.1907 8.1907 8.4254 8.4254 8.5295 8.5295 k = 0.0455 0.0455 0.2277 ( 5306 PWs) bands (ev): -35.7364 -35.7364 -35.7309 -35.7309 -16.9834 -16.9834 -16.9550 -16.9550 -16.6240 -16.6240 -16.5891 -16.5891 -16.5741 -16.5741 -16.5571 -16.5571 -7.7831 -7.7831 -7.5241 -7.5241 0.6178 0.6178 1.3834 1.3834 2.8022 2.8022 2.8415 2.8415 3.3570 3.3570 3.6691 3.6691 3.9347 3.9347 4.1325 4.1325 7.3500 7.3500 8.1509 8.1509 8.4062 8.4062 8.5738 8.5738 k = 0.0364 0.0364 0.2277 ( 5306 PWs) bands (ev): -35.7364 -35.7364 -35.7309 -35.7309 -16.9833 -16.9833 -16.9547 -16.9547 -16.6240 -16.6240 -16.5887 -16.5887 -16.5739 -16.5739 -16.5566 -16.5566 -7.7879 -7.7879 -7.5275 -7.5275 0.6123 0.6123 1.3764 1.3764 2.8164 2.8164 2.8612 2.8612 3.3760 3.3760 3.7079 3.7079 3.9293 3.9293 4.1357 4.1357 7.3216 7.3216 8.1172 8.1172 8.3897 8.3897 8.6198 8.6198 k = 0.0273 0.0273 0.2277 ( 5298 PWs) bands (ev): -35.7365 -35.7365 -35.7309 -35.7309 -16.9833 -16.9833 -16.9545 -16.9545 -16.6240 -16.6240 -16.5884 -16.5884 -16.5737 -16.5737 -16.5562 -16.5562 -7.7917 -7.7917 -7.5302 -7.5302 0.6081 0.6081 1.3709 1.3709 2.8274 2.8274 2.8768 2.8768 3.3911 3.3911 3.7424 3.7424 3.9208 3.9208 4.1384 4.1384 7.2992 7.2992 8.0904 8.0904 8.3764 8.3764 8.6668 8.6668 k = 0.0182 0.0182 0.2277 ( 5310 PWs) bands (ev): -35.7365 -35.7365 -35.7310 -35.7310 -16.9832 -16.9832 -16.9543 -16.9543 -16.6240 -16.6240 -16.5882 -16.5882 -16.5737 -16.5737 -16.5560 -16.5560 -7.7943 -7.7943 -7.5322 -7.5322 0.6051 0.6051 1.3670 1.3670 2.8354 2.8354 2.8882 2.8882 3.4021 3.4021 3.7715 3.7715 3.9103 3.9103 4.1404 4.1404 7.2829 7.2829 8.0708 8.0708 8.3666 8.3666 8.7143 8.7143 k = 0.0091 0.0091 0.2277 ( 5300 PWs) bands (ev): -35.7366 -35.7366 -35.7310 -35.7310 -16.9832 -16.9832 -16.9542 -16.9542 -16.6240 -16.6240 -16.5880 -16.5880 -16.5736 -16.5736 -16.5558 -16.5558 -7.7959 -7.7959 -7.5333 -7.5333 0.6032 0.6032 1.3646 1.3646 2.8402 2.8402 2.8950 2.8950 3.4087 3.4087 3.7927 3.7927 3.9004 3.9004 4.1417 4.1417 7.2731 7.2731 8.0590 8.0590 8.3607 8.3607 8.7615 8.7615 k = 0.0000 0.0000 0.2277 ( 5300 PWs) bands (ev): -35.7366 -35.7366 -35.7310 -35.7310 -16.9832 -16.9832 -16.9542 -16.9542 -16.6241 -16.6241 -16.5880 -16.5880 -16.5736 -16.5736 -16.5557 -16.5557 -7.7965 -7.7965 -7.5337 -7.5337 0.6026 0.6026 1.3638 1.3638 2.8418 2.8418 2.8973 2.8973 3.4110 3.4110 3.8009 3.8009 3.8959 3.8959 4.1422 4.1422 7.2699 7.2699 8.0550 8.0550 8.3587 8.3587 8.8037 8.8037 k = 0.0000 0.5000-0.0000 ( 5272 PWs) bands (ev): -35.7308 -35.7308 -35.7308 -35.7308 -16.9842 -16.9842 -16.9842 -16.9842 -16.6270 -16.6270 -16.6270 -16.6270 -16.5758 -16.5758 -16.5758 -16.5758 -7.3591 -7.3591 -7.3591 -7.3591 0.7627 0.7627 0.7627 0.7627 1.9620 1.9620 1.9620 1.9620 3.2668 3.2668 3.2668 3.2668 3.8062 3.8062 3.8062 3.8062 7.7650 7.7650 7.7650 7.7650 8.7597 8.7597 8.7597 8.7597 k = 0.0000 0.5000 0.0126 ( 5268 PWs) bands (ev): -35.7308 -35.7308 -35.7308 -35.7308 -16.9842 -16.9842 -16.9842 -16.9842 -16.6269 -16.6269 -16.6269 -16.6269 -16.5758 -16.5758 -16.5758 -16.5758 -7.3591 -7.3591 -7.3591 -7.3591 0.7617 0.7617 0.7617 0.7617 1.9647 1.9647 1.9647 1.9647 3.2662 3.2662 3.2662 3.2662 3.8040 3.8040 3.8040 3.8040 7.7676 7.7676 7.7676 7.7676 8.7605 8.7605 8.7605 8.7605 k = 0.0000 0.5000 0.0253 ( 5284 PWs) bands (ev): -35.7308 -35.7308 -35.7308 -35.7308 -16.9842 -16.9842 -16.9842 -16.9842 -16.6270 -16.6270 -16.6270 -16.6270 -16.5758 -16.5758 -16.5758 -16.5758 -7.3591 -7.3591 -7.3591 -7.3591 0.7589 0.7589 0.7589 0.7589 1.9727 1.9727 1.9727 1.9727 3.2645 3.2645 3.2645 3.2645 3.7974 3.7974 3.7974 3.7974 7.7753 7.7753 7.7753 7.7753 8.7626 8.7626 8.7626 8.7626 k = 0.0000 0.5000 0.0379 ( 5286 PWs) bands (ev): -35.7308 -35.7308 -35.7308 -35.7308 -16.9843 -16.9843 -16.9843 -16.9843 -16.6270 -16.6270 -16.6270 -16.6270 -16.5758 -16.5758 -16.5758 -16.5758 -7.3591 -7.3591 -7.3591 -7.3591 0.7542 0.7542 0.7542 0.7542 1.9858 1.9858 1.9858 1.9858 3.2616 3.2616 3.2616 3.2616 3.7867 3.7867 3.7867 3.7867 7.7878 7.7878 7.7878 7.7878 8.7661 8.7661 8.7661 8.7661 k = 0.0000 0.5000 0.0506 ( 5278 PWs) bands (ev): -35.7308 -35.7308 -35.7308 -35.7308 -16.9842 -16.9842 -16.9842 -16.9842 -16.6270 -16.6270 -16.6270 -16.6270 -16.5758 -16.5758 -16.5758 -16.5758 -7.3591 -7.3591 -7.3591 -7.3591 0.7480 0.7480 0.7480 0.7480 2.0037 2.0037 2.0037 2.0037 3.2573 3.2573 3.2573 3.2573 3.7723 3.7723 3.7723 3.7723 7.8048 7.8048 7.8048 7.8048 8.7709 8.7709 8.7709 8.7709 k = 0.0000 0.5000 0.0632 ( 5270 PWs) bands (ev): -35.7308 -35.7308 -35.7308 -35.7308 -16.9842 -16.9842 -16.9842 -16.9842 -16.6270 -16.6270 -16.6270 -16.6270 -16.5758 -16.5758 -16.5758 -16.5758 -7.3591 -7.3591 -7.3591 -7.3591 0.7406 0.7406 0.7406 0.7406 2.0261 2.0261 2.0261 2.0261 3.2516 3.2516 3.2516 3.2516 3.7546 3.7546 3.7546 3.7546 7.8257 7.8257 7.8257 7.8257 8.7770 8.7770 8.7770 8.7770 k = 0.0000 0.5000 0.0759 ( 5274 PWs) bands (ev): -35.7308 -35.7308 -35.7308 -35.7308 -16.9842 -16.9842 -16.9842 -16.9842 -16.6270 -16.6270 -16.6270 -16.6270 -16.5758 -16.5758 -16.5758 -16.5758 -7.3590 -7.3590 -7.3590 -7.3590 0.7321 0.7321 0.7321 0.7321 2.0524 2.0524 2.0524 2.0524 3.2443 3.2443 3.2443 3.2443 3.7343 3.7343 3.7343 3.7343 7.8499 7.8499 7.8499 7.8499 8.7841 8.7841 8.7841 8.7842 k = 0.0000 0.5000 0.0885 ( 5264 PWs) bands (ev): -35.7308 -35.7308 -35.7308 -35.7308 -16.9842 -16.9842 -16.9842 -16.9842 -16.6270 -16.6270 -16.6270 -16.6270 -16.5758 -16.5758 -16.5758 -16.5758 -7.3590 -7.3590 -7.3590 -7.3590 0.7230 0.7230 0.7230 0.7230 2.0821 2.0821 2.0821 2.0821 3.2352 3.2352 3.2352 3.2352 3.7121 3.7121 3.7121 3.7121 7.8766 7.8766 7.8766 7.8766 8.7923 8.7923 8.7923 8.7923 k = 0.0000 0.5000 0.1012 ( 5266 PWs) bands (ev): -35.7308 -35.7308 -35.7308 -35.7308 -16.9842 -16.9842 -16.9842 -16.9842 -16.6270 -16.6270 -16.6270 -16.6270 -16.5758 -16.5758 -16.5758 -16.5758 -7.3590 -7.3590 -7.3590 -7.3590 0.7135 0.7135 0.7135 0.7135 2.1146 2.1146 2.1146 2.1146 3.2241 3.2241 3.2241 3.2241 3.6889 3.6889 3.6889 3.6889 7.9051 7.9051 7.9051 7.9051 8.8011 8.8011 8.8011 8.8011 k = 0.0000 0.5000 0.1138 ( 5262 PWs) bands (ev): -35.7308 -35.7308 -35.7308 -35.7308 -16.9842 -16.9842 -16.9842 -16.9842 -16.6269 -16.6269 -16.6269 -16.6269 -16.5758 -16.5758 -16.5758 -16.5758 -7.3590 -7.3590 -7.3590 -7.3590 0.7040 0.7040 0.7040 0.7040 2.1492 2.1492 2.1492 2.1492 3.2109 3.2109 3.2109 3.2109 3.6655 3.6655 3.6655 3.6655 7.9343 7.9343 7.9343 7.9343 8.8105 8.8105 8.8105 8.8105 k = 0.0000 0.5000 0.1265 ( 5258 PWs) bands (ev): -35.7308 -35.7308 -35.7308 -35.7308 -16.9842 -16.9842 -16.9842 -16.9842 -16.6269 -16.6269 -16.6269 -16.6269 -16.5758 -16.5758 -16.5758 -16.5758 -7.3589 -7.3589 -7.3589 -7.3589 0.6948 0.6948 0.6948 0.6948 2.1852 2.1852 2.1852 2.1852 3.1956 3.1956 3.1956 3.1956 3.6429 3.6429 3.6429 3.6429 7.9634 7.9634 7.9634 7.9634 8.8202 8.8202 8.8202 8.8202 k = 0.0000 0.5000 0.1391 ( 5258 PWs) bands (ev): -35.7308 -35.7308 -35.7308 -35.7308 -16.9842 -16.9842 -16.9842 -16.9842 -16.6269 -16.6269 -16.6269 -16.6269 -16.5758 -16.5758 -16.5758 -16.5758 -7.3589 -7.3589 -7.3589 -7.3589 0.6860 0.6860 0.6860 0.6860 2.2217 2.2217 2.2217 2.2217 3.1781 3.1781 3.1781 3.1781 3.6217 3.6217 3.6217 3.6217 7.9915 7.9915 7.9915 7.9915 8.8299 8.8299 8.8299 8.8299 k = 0.0000 0.5000 0.1518 ( 5272 PWs) bands (ev): -35.7308 -35.7308 -35.7308 -35.7308 -16.9842 -16.9842 -16.9842 -16.9842 -16.6270 -16.6270 -16.6270 -16.6270 -16.5758 -16.5758 -16.5758 -16.5758 -7.3589 -7.3589 -7.3589 -7.3589 0.6780 0.6780 0.6780 0.6780 2.2577 2.2577 2.2577 2.2577 3.1591 3.1591 3.1591 3.1591 3.6026 3.6026 3.6026 3.6026 8.0178 8.0178 8.0178 8.0178 8.8393 8.8393 8.8393 8.8393 k = 0.0000 0.5000 0.1644 ( 5272 PWs) bands (ev): -35.7308 -35.7308 -35.7308 -35.7308 -16.9842 -16.9842 -16.9842 -16.9842 -16.6270 -16.6270 -16.6270 -16.6270 -16.5758 -16.5758 -16.5758 -16.5758 -7.3589 -7.3589 -7.3589 -7.3589 0.6709 0.6709 0.6709 0.6709 2.2921 2.2921 2.2921 2.2921 3.1393 3.1393 3.1393 3.1393 3.5862 3.5862 3.5862 3.5862 8.0413 8.0413 8.0414 8.0414 8.8480 8.8480 8.8480 8.8480 k = 0.0000 0.5000 0.1771 ( 5276 PWs) bands (ev): -35.7308 -35.7308 -35.7308 -35.7308 -16.9842 -16.9842 -16.9842 -16.9842 -16.6270 -16.6270 -16.6270 -16.6270 -16.5758 -16.5758 -16.5758 -16.5758 -7.3588 -7.3588 -7.3588 -7.3588 0.6648 0.6648 0.6648 0.6648 2.3235 2.3235 2.3235 2.3235 3.1197 3.1197 3.1197 3.1197 3.5727 3.5727 3.5727 3.5727 8.0616 8.0616 8.0616 8.0616 8.8558 8.8558 8.8558 8.8558 k = 0.0000 0.5000 0.1897 ( 5266 PWs) bands (ev): -35.7308 -35.7308 -35.7308 -35.7308 -16.9842 -16.9842 -16.9842 -16.9842 -16.6269 -16.6269 -16.6269 -16.6269 -16.5758 -16.5758 -16.5758 -16.5758 -7.3588 -7.3588 -7.3588 -7.3588 0.6600 0.6600 0.6600 0.6600 2.3505 2.3505 2.3505 2.3505 3.1018 3.1018 3.1018 3.1018 3.5622 3.5622 3.5622 3.5622 8.0780 8.0780 8.0780 8.0780 8.8623 8.8623 8.8623 8.8623 k = 0.0000 0.5000 0.2024 ( 5274 PWs) bands (ev): -35.7308 -35.7308 -35.7308 -35.7308 -16.9842 -16.9842 -16.9842 -16.9842 -16.6270 -16.6270 -16.6270 -16.6270 -16.5758 -16.5758 -16.5758 -16.5758 -7.3588 -7.3588 -7.3588 -7.3588 0.6565 0.6565 0.6565 0.6565 2.3714 2.3714 2.3714 2.3714 3.0873 3.0873 3.0873 3.0873 3.5548 3.5548 3.5548 3.5548 8.0899 8.0899 8.0899 8.0899 8.8671 8.8671 8.8671 8.8671 k = 0.0000 0.5000 0.2150 ( 5268 PWs) bands (ev): -35.7308 -35.7308 -35.7308 -35.7308 -16.9842 -16.9842 -16.9842 -16.9842 -16.6269 -16.6269 -16.6269 -16.6269 -16.5758 -16.5758 -16.5758 -16.5758 -7.3588 -7.3588 -7.3588 -7.3588 0.6544 0.6544 0.6544 0.6544 2.3847 2.3847 2.3847 2.3847 3.0779 3.0779 3.0779 3.0779 3.5504 3.5504 3.5504 3.5504 8.0973 8.0973 8.0973 8.0973 8.8701 8.8701 8.8701 8.8702 k = 0.0000 0.5000 0.2277 ( 5264 PWs) bands (ev): -35.7308 -35.7308 -35.7308 -35.7308 -16.9842 -16.9842 -16.9842 -16.9842 -16.6269 -16.6269 -16.6269 -16.6269 -16.5758 -16.5758 -16.5758 -16.5758 -7.3588 -7.3588 -7.3588 -7.3588 0.6536 0.6536 0.6536 0.6536 2.3892 2.3892 2.3892 2.3892 3.0746 3.0746 3.0746 3.0746 3.5489 3.5489 3.5489 3.5489 8.0997 8.0997 8.0997 8.0997 8.8712 8.8712 8.8712 8.8712 k = 0.5000 0.5000-0.0000 ( 5272 PWs) bands (ev): -35.7280 -35.7280 -35.7280 -35.7280 -16.9929 -16.9929 -16.9929 -16.9929 -16.6245 -16.6245 -16.6245 -16.6245 -16.6051 -16.6051 -16.6051 -16.6051 -7.1458 -7.1458 -7.1458 -7.1458 1.0254 1.0254 1.0254 1.0254 1.8090 1.8090 1.8090 1.8090 2.7456 2.7456 2.7456 2.7456 2.9384 2.9384 2.9384 2.9384 7.3133 7.3133 7.3133 7.3133 9.6300 9.6300 9.6300 9.6300 k = 0.5000 0.5000 0.0126 ( 5272 PWs) bands (ev): -35.7280 -35.7280 -35.7280 -35.7280 -16.9929 -16.9929 -16.9929 -16.9929 -16.6245 -16.6245 -16.6245 -16.6245 -16.6051 -16.6051 -16.6051 -16.6051 -7.1458 -7.1458 -7.1458 -7.1458 1.0255 1.0255 1.0255 1.0255 1.8087 1.8087 1.8087 1.8087 2.7452 2.7452 2.7452 2.7452 2.9389 2.9389 2.9389 2.9389 7.3166 7.3166 7.3166 7.3166 9.6238 9.6238 9.6238 9.6238 k = 0.5000 0.5000 0.0253 ( 5280 PWs) bands (ev): -35.7280 -35.7280 -35.7280 -35.7280 -16.9929 -16.9929 -16.9929 -16.9929 -16.6245 -16.6245 -16.6245 -16.6245 -16.6051 -16.6051 -16.6051 -16.6051 -7.1458 -7.1458 -7.1458 -7.1458 1.0258 1.0258 1.0258 1.0258 1.8078 1.8078 1.8078 1.8078 2.7441 2.7441 2.7441 2.7441 2.9404 2.9404 2.9404 2.9404 7.3262 7.3262 7.3262 7.3262 9.6051 9.6051 9.6051 9.6051 k = 0.5000 0.5000 0.0379 ( 5280 PWs) bands (ev): -35.7280 -35.7280 -35.7280 -35.7280 -16.9929 -16.9929 -16.9929 -16.9929 -16.6246 -16.6246 -16.6246 -16.6246 -16.6051 -16.6051 -16.6051 -16.6051 -7.1458 -7.1458 -7.1458 -7.1458 1.0263 1.0263 1.0263 1.0263 1.8062 1.8062 1.8062 1.8062 2.7422 2.7422 2.7422 2.7422 2.9428 2.9428 2.9428 2.9428 7.3422 7.3422 7.3422 7.3422 9.5745 9.5745 9.5745 9.5745 k = 0.5000 0.5000 0.0506 ( 5280 PWs) bands (ev): -35.7280 -35.7280 -35.7280 -35.7280 -16.9929 -16.9929 -16.9929 -16.9929 -16.6246 -16.6246 -16.6246 -16.6246 -16.6051 -16.6051 -16.6051 -16.6051 -7.1458 -7.1458 -7.1458 -7.1458 1.0269 1.0269 1.0269 1.0269 1.8041 1.8041 1.8041 1.8041 2.7398 2.7398 2.7398 2.7398 2.9460 2.9460 2.9460 2.9460 7.3644 7.3644 7.3644 7.3644 9.5329 9.5329 9.5329 9.5329 k = 0.5000 0.5000 0.0632 ( 5288 PWs) bands (ev): -35.7280 -35.7280 -35.7280 -35.7280 -16.9929 -16.9929 -16.9929 -16.9929 -16.6246 -16.6246 -16.6246 -16.6246 -16.6051 -16.6051 -16.6051 -16.6051 -7.1457 -7.1457 -7.1457 -7.1457 1.0277 1.0277 1.0277 1.0277 1.8015 1.8015 1.8015 1.8015 2.7368 2.7368 2.7368 2.7368 2.9499 2.9499 2.9499 2.9499 7.3927 7.3927 7.3927 7.3927 9.4811 9.4811 9.4811 9.4811 k = 0.5000 0.5000 0.0759 ( 5288 PWs) bands (ev): -35.7280 -35.7280 -35.7280 -35.7280 -16.9929 -16.9929 -16.9929 -16.9929 -16.6246 -16.6246 -16.6246 -16.6246 -16.6051 -16.6051 -16.6051 -16.6051 -7.1457 -7.1457 -7.1457 -7.1457 1.0285 1.0285 1.0285 1.0285 1.7986 1.7986 1.7986 1.7986 2.7335 2.7335 2.7335 2.7335 2.9543 2.9543 2.9543 2.9543 7.4269 7.4269 7.4269 7.4269 9.4205 9.4205 9.4205 9.4205 k = 0.5000 0.5000 0.0885 ( 5284 PWs) bands (ev): -35.7280 -35.7280 -35.7280 -35.7280 -16.9929 -16.9929 -16.9929 -16.9929 -16.6246 -16.6246 -16.6246 -16.6246 -16.6051 -16.6051 -16.6051 -16.6051 -7.1457 -7.1457 -7.1457 -7.1457 1.0295 1.0295 1.0295 1.0295 1.7953 1.7953 1.7953 1.7953 2.7298 2.7298 2.7298 2.7298 2.9591 2.9591 2.9591 2.9591 7.4668 7.4668 7.4668 7.4668 9.3521 9.3521 9.3521 9.3521 k = 0.5000 0.5000 0.1012 ( 5276 PWs) bands (ev): -35.7280 -35.7280 -35.7280 -35.7280 -16.9929 -16.9929 -16.9929 -16.9929 -16.6245 -16.6245 -16.6245 -16.6245 -16.6051 -16.6051 -16.6051 -16.6051 -7.1457 -7.1457 -7.1457 -7.1457 1.0306 1.0306 1.0306 1.0306 1.7918 1.7918 1.7918 1.7918 2.7261 2.7261 2.7261 2.7261 2.9641 2.9641 2.9641 2.9641 7.5120 7.5120 7.5120 7.5120 9.2775 9.2775 9.2775 9.2775 k = 0.5000 0.5000 0.1138 ( 5284 PWs) bands (ev): -35.7280 -35.7280 -35.7280 -35.7280 -16.9929 -16.9929 -16.9929 -16.9929 -16.6246 -16.6246 -16.6246 -16.6246 -16.6051 -16.6051 -16.6051 -16.6051 -7.1457 -7.1457 -7.1457 -7.1457 1.0317 1.0317 1.0317 1.0317 1.7882 1.7882 1.7882 1.7882 2.7223 2.7223 2.7223 2.7223 2.9692 2.9692 2.9692 2.9692 7.5623 7.5623 7.5623 7.5623 9.1978 9.1978 9.1978 9.1978 k = 0.5000 0.5000 0.1265 ( 5268 PWs) bands (ev): -35.7280 -35.7280 -35.7280 -35.7280 -16.9929 -16.9929 -16.9929 -16.9929 -16.6245 -16.6245 -16.6245 -16.6245 -16.6051 -16.6051 -16.6051 -16.6051 -7.1456 -7.1456 -7.1456 -7.1456 1.0328 1.0328 1.0328 1.0328 1.7846 1.7846 1.7846 1.7846 2.7185 2.7185 2.7185 2.7185 2.9742 2.9742 2.9742 2.9742 7.6170 7.6170 7.6170 7.6170 9.1144 9.1144 9.1144 9.1144 k = 0.5000 0.5000 0.1391 ( 5248 PWs) bands (ev): -35.7280 -35.7280 -35.7280 -35.7280 -16.9928 -16.9928 -16.9928 -16.9928 -16.6245 -16.6245 -16.6245 -16.6245 -16.6051 -16.6051 -16.6051 -16.6051 -7.1456 -7.1456 -7.1456 -7.1456 1.0339 1.0339 1.0339 1.0339 1.7811 1.7811 1.7811 1.7811 2.7150 2.7150 2.7150 2.7150 2.9790 2.9790 2.9790 2.9790 7.6756 7.6756 7.6756 7.6756 9.0288 9.0288 9.0288 9.0288 k = 0.5000 0.5000 0.1518 ( 5240 PWs) bands (ev): -35.7280 -35.7280 -35.7280 -35.7280 -16.9928 -16.9928 -16.9928 -16.9928 -16.6245 -16.6245 -16.6245 -16.6245 -16.6050 -16.6050 -16.6050 -16.6050 -7.1456 -7.1456 -7.1456 -7.1456 1.0349 1.0349 1.0349 1.0349 1.7779 1.7779 1.7779 1.7779 2.7117 2.7117 2.7117 2.7117 2.9834 2.9834 2.9834 2.9834 7.7373 7.7373 7.7373 7.7373 8.9423 8.9423 8.9423 8.9423 k = 0.5000 0.5000 0.1644 ( 5228 PWs) bands (ev): -35.7280 -35.7280 -35.7280 -35.7280 -16.9928 -16.9928 -16.9928 -16.9928 -16.6245 -16.6245 -16.6245 -16.6245 -16.6050 -16.6050 -16.6050 -16.6050 -7.1456 -7.1456 -7.1456 -7.1456 1.0358 1.0358 1.0358 1.0358 1.7749 1.7749 1.7749 1.7749 2.7088 2.7088 2.7088 2.7088 2.9873 2.9873 2.9873 2.9873 7.8008 7.8008 7.8008 7.8008 8.8569 8.8569 8.8569 8.8569 k = 0.5000 0.5000 0.1771 ( 5236 PWs) bands (ev): -35.7280 -35.7280 -35.7280 -35.7280 -16.9928 -16.9928 -16.9928 -16.9928 -16.6245 -16.6245 -16.6245 -16.6245 -16.6050 -16.6050 -16.6050 -16.6050 -7.1455 -7.1455 -7.1455 -7.1455 1.0366 1.0366 1.0366 1.0366 1.7724 1.7724 1.7724 1.7724 2.7064 2.7064 2.7064 2.7064 2.9907 2.9907 2.9907 2.9907 7.8645 7.8645 7.8645 7.8645 8.7746 8.7746 8.7746 8.7746 k = 0.5000 0.5000 0.1897 ( 5244 PWs) bands (ev): -35.7280 -35.7280 -35.7280 -35.7280 -16.9928 -16.9928 -16.9928 -16.9928 -16.6245 -16.6245 -16.6245 -16.6245 -16.6051 -16.6051 -16.6051 -16.6051 -7.1455 -7.1455 -7.1455 -7.1455 1.0373 1.0373 1.0373 1.0373 1.7704 1.7704 1.7704 1.7704 2.7044 2.7044 2.7044 2.7044 2.9934 2.9934 2.9934 2.9934 7.9254 7.9254 7.9254 7.9254 8.6989 8.6989 8.6989 8.6989 k = 0.5000 0.5000 0.2024 ( 5252 PWs) bands (ev): -35.7280 -35.7280 -35.7280 -35.7280 -16.9928 -16.9928 -16.9928 -16.9928 -16.6245 -16.6245 -16.6245 -16.6245 -16.6051 -16.6051 -16.6051 -16.6051 -7.1455 -7.1455 -7.1455 -7.1455 1.0378 1.0378 1.0378 1.0378 1.7689 1.7689 1.7689 1.7689 2.7029 2.7029 2.7029 2.7029 2.9953 2.9953 2.9953 2.9953 7.9788 7.9788 7.9788 7.9788 8.6347 8.6347 8.6347 8.6347 k = 0.5000 0.5000 0.2150 ( 5252 PWs) bands (ev): -35.7280 -35.7280 -35.7280 -35.7280 -16.9928 -16.9928 -16.9928 -16.9928 -16.6245 -16.6245 -16.6245 -16.6245 -16.6051 -16.6051 -16.6051 -16.6051 -7.1455 -7.1455 -7.1455 -7.1455 1.0381 1.0381 1.0381 1.0381 1.7680 1.7680 1.7680 1.7680 2.7020 2.7020 2.7020 2.7020 2.9966 2.9966 2.9966 2.9966 8.0172 8.0172 8.0172 8.0172 8.5898 8.5898 8.5898 8.5898 k = 0.5000 0.5000 0.2277 ( 5264 PWs) bands (ev): -35.7280 -35.7280 -35.7280 -35.7280 -16.9929 -16.9929 -16.9929 -16.9929 -16.6245 -16.6245 -16.6245 -16.6245 -16.6051 -16.6051 -16.6051 -16.6051 -7.1455 -7.1455 -7.1455 -7.1455 1.0382 1.0382 1.0382 1.0382 1.7676 1.7676 1.7676 1.7676 2.7017 2.7017 2.7017 2.7017 2.9969 2.9969 2.9969 2.9969 8.0315 8.0315 8.0315 8.0315 8.5733 8.5733 8.5733 8.5733 Writing output data file CaHI.save init_run : 0.94s CPU 0.55s WALL ( 1 calls) electrons : 759.84s CPU 647.05s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.18s CPU 0.12s WALL ( 1 calls) Called by electrons: c_bands : 759.82s CPU 647.04s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.27s CPU 0.14s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.17s CPU 0.22s WALL ( 329 calls) cegterg : 704.05s CPU 613.65s WALL ( 1104 calls) Called by sum_band: Called by *egterg: h_psi : 367.68s CPU 278.07s WALL ( 19976 calls) s_psi : 9.94s CPU 7.98s WALL ( 19976 calls) g_psi : 0.29s CPU 0.25s WALL ( 18543 calls) cdiaghg : 322.35s CPU 306.98s WALL ( 18872 calls) cegterg:over : 21.86s CPU 19.68s WALL ( 18543 calls) cegterg:upda : 11.68s CPU 10.50s WALL ( 18543 calls) cegterg:last : 5.31s CPU 5.17s WALL ( 2306 calls) cdiaghg:chol : 10.99s CPU 10.37s WALL ( 18872 calls) cdiaghg:inve : 4.74s CPU 4.58s WALL ( 18872 calls) cdiaghg:para : 21.82s CPU 21.45s WALL ( 37744 calls) Called by h_psi: h_psi:vloc : 342.14s CPU 256.74s WALL ( 19976 calls) h_psi:vnl : 25.22s CPU 21.07s WALL ( 19976 calls) add_vuspsi : 13.16s CPU 10.75s WALL ( 19976 calls) General routines calbec : 12.02s CPU 10.25s WALL ( 19976 calls) fft : 0.11s CPU 0.05s WALL ( 19 calls) ffts : 0.02s CPU 0.02s WALL ( 4 calls) fftw : 334.51s CPU 250.45s WALL ( 1207172 calls) interpolate : 0.06s CPU 0.03s WALL ( 4 calls) davcio : 0.30s CPU 0.49s WALL ( 658 calls) Parallel routines fft_scatter : 225.88s CPU 187.31s WALL ( 1207195 calls) PWSCF : 13m22.66s CPU 11m50.59s WALL This run was terminated on: 23:56:39 20Mar2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=